 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer01_STD_M11_def2SVPD.in
 Output=31_naproxen_conformer01_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-16200.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     16212.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer01_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:04 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer01_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.701650000000      0.861049000000     -0.150441000000
  C                                                -1.142583000000     -0.492061000000     -0.146036000000
  C                                                 0.680291000000      1.135563000000     -0.261208000000
  C                                                 1.611358000000      0.129451000000     -0.370251000000
  C                                                 1.162418000000     -1.214398000000     -0.360965000000
  C                                                -0.168407000000     -1.514023000000     -0.252411000000
  C                                                -1.673067000000      1.886980000000     -0.044418000000
  H                                                 1.002631000000      2.171223000000     -0.269064000000
  H                                                 1.887775000000     -2.015222000000     -0.432725000000
  H                                                -0.492297000000     -2.547618000000     -0.243597000000
  C                                                 3.089483000000      0.433563000000     -0.483088000000
  C                                                 3.712284000000     -0.066300000000     -1.786151000000
  C                                                 3.873459000000     -0.077627000000      0.733351000000
  H                                                 3.203190000000      1.522932000000     -0.441764000000
  H                                                 4.768168000000      0.193895000000     -1.827559000000
  H                                                 3.198059000000      0.378934000000     -2.637902000000
  H                                                 3.635566000000     -1.150409000000     -1.866576000000
  O                                                 4.972607000000     -0.550358000000      0.679433000000
  O                                                 3.255984000000      0.083411000000      1.926913000000
  H                                                 2.348270000000      0.392671000000      1.784838000000
  C                                                -3.000863000000      1.591354000000      0.061295000000
  C                                                -3.436799000000      0.243260000000      0.067154000000
  C                                                -2.523995000000     -0.780170000000     -0.034789000000
  O                                                -4.779617000000      0.081304000000      0.178247000000
  C                                                -5.294817000000     -1.239834000000      0.194020000000
  H                                                -1.347302000000      2.919928000000     -0.048267000000
  H                                                -3.748933000000      2.368268000000      0.142782000000
  H                                                -2.835427000000     -1.814402000000     -0.032567000000
  H                                                -5.057543000000     -1.768200000000     -0.733736000000
  H                                                -6.373003000000     -1.140865000000      0.289516000000
  H                                                -4.903616000000     -1.806841000000      1.043513000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.423147   0.000000
     3  C    1.413290   2.446486   0.000000
     4  C    2.435890   2.832091   1.375150   0.000000
     5  C    2.797597   2.425076   2.400982   1.416885   0.000000
     6  C    2.436332   1.415889   2.782206   2.425378   1.368450
     7  C    1.416837   2.439585   2.479903   3.739321   4.214110
     8  H    2.152952   3.422011   1.084692   2.132984   3.390635
     9  H    3.880431   3.403716   3.378592   2.163315   1.082872
    10  H    3.416360   2.158172   3.865371   3.407067   2.128223
    11  C    3.829633   4.345200   2.519175   1.513298   2.538556
    12  C    4.797743   5.142080   3.600404   2.541059   3.138646
    13  C    4.753296   5.109379   3.557710   2.525454   3.136801
    14  H    3.971238   4.799312   2.558842   2.116798   3.415297
    15  H    5.759924   6.183448   4.477827   3.477549   4.139519
    16  H    4.650551   5.080276   3.544054   2.778867   3.444849
    17  H    5.079619   5.120975   4.066513   2.823907   2.896104
    18  O    5.905756   6.170928   4.706497   3.586359   4.005111
    19  O    4.536848   4.896496   3.539646   2.825575   3.361802
    20  H    3.642347   4.086206   2.742325   2.292757   2.931448
    21  C    2.421685   2.799430   3.723258   4.857569   5.038200
    22  C    2.812481   2.418589   4.225453   5.068349   4.843640
    23  C    2.455182   1.415515   3.740153   4.247480   3.726203
    24  O    4.164835   3.696204   5.578098   6.414650   6.105520
    25  C    5.062563   4.232712   6.446058   7.063186   6.481091
    26  H    2.160159   3.419523   2.709324   4.079719   4.846558
    27  H    3.412275   3.880458   4.615278   5.831657   6.100051
    28  H    3.424169   2.151089   4.595089   4.864822   4.055936
    29  H    5.121229   4.159427   6.448090   6.943158   6.255683
    30  H    6.030379   5.288473   7.431983   8.111659   7.563802
    31  H    5.118562   4.158009   6.445158   6.942106   6.254624
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724793   0.000000
     8  H    3.866865   2.700115   0.000000
     9  H    2.124052   5.296939   4.282124   0.000000
    10  H    1.083190   4.593425   4.950042   2.446213   0.000000
    11  C    3.802650   4.998673   2.724008   2.728220   4.666256
    12  C    4.416789   5.987566   3.827569   2.993141   5.120050
    13  C    4.401323   5.935365   3.782039   3.009476   5.110294
    14  H    4.541654   4.905945   2.300558   3.774776   5.501388
    15  H    5.455992   6.894609   4.529680   3.888756   6.139814
    16  H    4.539488   5.720859   3.693724   3.508794   5.283572
    17  H    4.148247   6.381816   4.529639   2.420455   4.650323
    18  O    5.312910   7.115445   4.905849   3.591505   5.891197
    19  O    4.362075   5.606652   3.776092   3.441533   5.067843
    20  H    3.757596   4.663720   3.031914   3.305691   4.563844
    21  C    4.214805   1.364409   4.058737   6.095099   4.849428
    22  C    3.724587   2.413507   4.851662   5.805317   4.068864
    23  C    2.476832   2.799618   4.604639   4.598633   2.700976
    24  O    4.898346   3.600097   6.164596   7.015898   5.046810
    25  C    5.153112   4.790709   7.176880   7.251459   4.996599
    26  H    4.592536   1.083106   2.476186   5.913479   5.537440
    27  H    5.296086   2.139136   4.773448   7.163705   5.909391
    28  H    2.692871   3.879620   5.538215   4.744375   2.464224
    29  H    4.919342   5.028934   7.242975   6.956225   4.657166
    30  H    6.239386   5.600782   8.104438   8.338260   6.070080
    31  H    4.918065   5.026366   7.240967   6.953107   4.654582
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528305   0.000000
    13  C    1.534815   2.524677   0.000000
    14  H    1.096067   2.142945   2.095697   0.000000
    15  H    2.164030   1.088259   2.726259   2.477080   0.000000
    16  H    2.158239   1.090019   3.468423   2.476243   1.776552
    17  H    2.172835   1.089792   2.822601   3.060031   1.758256
    18  O    2.421923   2.811020   1.197710   2.947279   2.623112
    19  O    2.440990   3.743991   1.353440   2.772298   4.049070
    20  H    2.386327   3.850085   1.911284   2.639344   4.352566
    21  C    6.223275   7.157319   7.105875   6.224791   8.116557
    22  C    6.552201   7.391884   7.347561   6.781299   8.421037
    23  C    5.760664   6.516752   6.481591   6.186320   7.572217
    24  O    7.904694   8.717398   8.672319   8.135595   9.756851
    25  C    8.576434   9.296565   9.257369   8.958416  10.363688
    26  H    5.104522   6.126762   6.070635   4.776339   6.927922
    27  H    7.134335   8.081934   8.026957   7.027681   9.008393
    28  H    6.353021   7.000245   6.972243   6.911594   8.066592
    29  H    8.443022   8.995216   9.207235   8.896994  10.079229
    30  H    9.623637  10.352589  10.311035   9.966647  11.418813
    31  H    8.440353   9.234187   8.951169   8.888967  10.285398
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767837   0.000000
    18  O    3.875218   2.937669   0.000000
    19  O    4.574738   4.007113   2.214648   0.000000
    20  H    4.503661   4.167859   2.999728   0.969418   0.000000
    21  C    6.868934   7.434793   8.279206   6.700937   5.746361
    22  C    7.166385   7.463241   8.468933   6.948208   6.036538
    23  C    6.392310   6.436825   7.534054   6.164593   5.331563
    24  O    8.465376   8.747212   9.785502   8.223668   7.313334
    25  C    9.097754   9.165467  10.301990   8.824403   7.975748
    26  H    5.815769   6.686020   7.246632   5.756510   4.837825
    27  H    7.742761   8.423149   9.212580   7.581066   6.616284
    28  H    6.928308   6.758567   7.941671   6.674320   5.919869
    29  H    8.740194   8.788352  10.202161   8.923130   8.115334
    30  H   10.123477  10.238177  11.367656   9.843643   8.980441
    31  H    9.163382   9.045283   9.962484   8.422145   7.614280
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.416839   0.000000
    23  C    2.420901   1.375141   0.000000
    24  O    2.336214   1.357104   2.423913   0.000000
    25  C    3.646295   2.380734   2.817996   1.418127   0.000000
    26  H    2.124000   3.397627   3.882720   4.459807   5.739791
    27  H    1.081593   2.149141   3.382997   2.508739   3.925657
    28  H    3.411063   2.146058   1.080107   2.723604   2.535758
    29  H    4.018533   2.704479   2.807774   2.080774   1.093710
    30  H    4.346083   3.253696   3.879451   2.011208   1.086922
    31  H    4.016584   2.703284   2.807024   2.080662   1.093697
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471570   0.000000
    28  H    4.962725   4.284853   0.000000
    29  H    6.017832   4.426185   2.330573   0.000000
    30  H    6.470070   4.384209   3.615499   1.780738   0.000000
    31  H    6.015122   4.424494   2.331397   1.784321   1.780768
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.22D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3888905           0.2034593           0.1967639
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2190356318 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               8.4 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.46D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:              11.0 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer01_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:14 2021, MaxMem=  5368709120 cpu:              23.4 elap:               3.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.608578547940    
 DIIS: error= 4.48D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.608578547940     IErMin= 1 ErrMin= 4.48D-03
 ErrMax= 4.48D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-02 BMatP= 3.00D-02
 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.48D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.324 Goal=   None    Shift=    0.000
 GapD=    0.324 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.42D-02 MaxDP=6.22D-01              OVMax= 2.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.34D-02    CP:  1.15D+00
 E= -766.639664431025     Delta-E=       -0.031085883086 Rises=F Damp=F
 DIIS: error= 1.16D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.639664431025     IErMin= 2 ErrMin= 1.16D-03
 ErrMax= 1.16D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-03 BMatP= 3.00D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.16D-02
 Coeff-Com: -0.483D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.478D-02 0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=3.08D-03 MaxDP=1.82D-01 DE=-3.11D-02 OVMax= 1.10D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.44D-03    CP:  1.21D+00  1.14D+00
 E= -766.640785581736     Delta-E=       -0.001121150711 Rises=F Damp=F
 DIIS: error= 1.27D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.640785581736     IErMin= 2 ErrMin= 1.16D-03
 ErrMax= 1.27D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-03 BMatP= 1.52D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.27D-02
 Coeff-Com: -0.621D-01 0.492D+00 0.570D+00
 Coeff-En:   0.000D+00 0.447D-01 0.955D+00
 Coeff:     -0.613D-01 0.487D+00 0.575D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.58D-04 MaxDP=2.25D-02 DE=-1.12D-03 OVMax= 4.69D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.85D-04    CP:  1.21D+00  1.15D+00  1.07D+00
 E= -766.641612852307     Delta-E=       -0.000827270571 Rises=F Damp=F
 DIIS: error= 2.03D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.641612852307     IErMin= 4 ErrMin= 2.03D-04
 ErrMax= 2.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-05 BMatP= 1.24D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.03D-03
 Coeff-Com: -0.149D-01 0.378D-01 0.150D+00 0.827D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.149D-01 0.377D-01 0.149D+00 0.828D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.24D-04 MaxDP=7.05D-03 DE=-8.27D-04 OVMax= 1.46D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.15D-04    CP:  1.21D+00  1.15D+00  1.08D+00  1.03D+00
 E= -766.641653913226     Delta-E=       -0.000041060919 Rises=F Damp=F
 DIIS: error= 6.89D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.641653913226     IErMin= 5 ErrMin= 6.89D-05
 ErrMax= 6.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.27D-06 BMatP= 3.82D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-02-0.383D-01-0.155D-01 0.295D+00 0.757D+00
 Coeff:      0.149D-02-0.383D-01-0.155D-01 0.295D+00 0.757D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.65D-05 MaxDP=2.50D-03 DE=-4.11D-05 OVMax= 7.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.36D-05    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.10D+00
 E= -766.641661168689     Delta-E=       -0.000007255463 Rises=F Damp=F
 DIIS: error= 3.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.641661168689     IErMin= 6 ErrMin= 3.17D-05
 ErrMax= 3.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 6.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.231D-02-0.218D-01-0.245D-01 0.483D-01 0.345D+00 0.650D+00
 Coeff:      0.231D-02-0.218D-01-0.245D-01 0.483D-01 0.345D+00 0.650D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.36D-05 MaxDP=6.38D-04 DE=-7.26D-06 OVMax= 2.87D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.10D-06    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.15D+00
                    CP:  1.18D+00
 E= -766.641662454286     Delta-E=       -0.000001285597 Rises=F Damp=F
 DIIS: error= 9.80D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.641662454286     IErMin= 7 ErrMin= 9.80D-06
 ErrMax= 9.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-07 BMatP= 1.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.451D-03-0.172D-03-0.508D-02-0.369D-01-0.252D-01 0.188D+00
 Coeff-Com:  0.879D+00
 Coeff:      0.451D-03-0.172D-03-0.508D-02-0.369D-01-0.252D-01 0.188D+00
 Coeff:      0.879D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=9.06D-06 MaxDP=3.04D-04 DE=-1.29D-06 OVMax= 2.19D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.55D-06    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.19D+00
                    CP:  1.28D+00  1.43D+00
 E= -766.641662723956     Delta-E=       -0.000000269670 Rises=F Damp=F
 DIIS: error= 4.64D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.641662723956     IErMin= 8 ErrMin= 4.64D-06
 ErrMax= 4.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-08 BMatP= 1.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.196D-03 0.300D-02 0.226D-02-0.168D-01-0.541D-01-0.511D-01
 Coeff-Com:  0.234D+00 0.883D+00
 Coeff:     -0.196D-03 0.300D-02 0.226D-02-0.168D-01-0.541D-01-0.511D-01
 Coeff:      0.234D+00 0.883D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.45D-06 MaxDP=1.04D-04 DE=-2.70D-07 OVMax= 1.18D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.72D-06    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.20D+00
                    CP:  1.34D+00  1.56D+00  1.27D+00
 E= -766.641662771304     Delta-E=       -0.000000047348 Rises=F Damp=F
 DIIS: error= 1.95D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.641662771304     IErMin= 9 ErrMin= 1.95D-06
 ErrMax= 1.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.50D-09 BMatP= 1.74D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-03 0.124D-02 0.183D-02-0.116D-02-0.175D-01-0.546D-01
 Coeff-Com: -0.519D-01 0.388D+00 0.735D+00
 Coeff:     -0.146D-03 0.124D-02 0.183D-02-0.116D-02-0.175D-01-0.546D-01
 Coeff:     -0.519D-01 0.388D+00 0.735D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.58D-06 MaxDP=6.20D-05 DE=-4.73D-08 OVMax= 4.46D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.51D-07    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.21D+00
                    CP:  1.35D+00  1.64D+00  1.35D+00  1.19D+00
 E= -766.641662780217     Delta-E=       -0.000000008913 Rises=F Damp=F
 DIIS: error= 6.11D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.641662780217     IErMin=10 ErrMin= 6.11D-07
 ErrMax= 6.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.22D-10 BMatP= 4.50D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.786D-05-0.141D-03 0.116D-03 0.209D-02 0.422D-02-0.366D-02
 Coeff-Com: -0.443D-01-0.509D-01 0.120D+00 0.973D+00
 Coeff:     -0.786D-05-0.141D-03 0.116D-03 0.209D-02 0.422D-02-0.366D-02
 Coeff:     -0.443D-01-0.509D-01 0.120D+00 0.973D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=5.84D-07 MaxDP=2.01D-05 DE=-8.91D-09 OVMax= 2.12D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.55D-07    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.21D+00
                    CP:  1.36D+00  1.67D+00  1.39D+00  1.31D+00  1.22D+00
 E= -766.641662781325     Delta-E=       -0.000000001108 Rises=F Damp=F
 DIIS: error= 2.22D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.641662781325     IErMin=11 ErrMin= 2.22D-07
 ErrMax= 2.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.34D-11 BMatP= 3.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-04-0.252D-03-0.237D-03 0.102D-02 0.437D-02 0.682D-02
 Coeff-Com: -0.100D-01-0.746D-01-0.680D-01 0.381D+00 0.760D+00
 Coeff:      0.199D-04-0.252D-03-0.237D-03 0.102D-02 0.437D-02 0.682D-02
 Coeff:     -0.100D-01-0.746D-01-0.680D-01 0.381D+00 0.760D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.28D-07 MaxDP=9.38D-06 DE=-1.11D-09 OVMax= 6.90D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.51D-07    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.21D+00
                    CP:  1.36D+00  1.67D+00  1.41D+00  1.34D+00  1.32D+00
                    CP:  1.11D+00
 E= -766.641662781581     Delta-E=       -0.000000000256 Rises=F Damp=F
 DIIS: error= 1.05D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.641662781581     IErMin=12 ErrMin= 1.05D-07
 ErrMax= 1.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.35D-12 BMatP= 8.34D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.573D-05-0.424D-04-0.721D-04-0.315D-04 0.453D-03 0.219D-02
 Coeff-Com:  0.352D-02-0.987D-02-0.371D-01-0.398D-01 0.192D+00 0.889D+00
 Coeff:      0.573D-05-0.424D-04-0.721D-04-0.315D-04 0.453D-03 0.219D-02
 Coeff:      0.352D-02-0.987D-02-0.371D-01-0.398D-01 0.192D+00 0.889D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.19D-07 MaxDP=5.86D-06 DE=-2.56D-10 OVMax= 3.47D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.17D-08    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.21D+00
                    CP:  1.36D+00  1.68D+00  1.40D+00  1.35D+00  1.36D+00
                    CP:  1.22D+00  1.13D+00
 E= -766.641662781581     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 5.04D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -766.641662781581     IErMin=13 ErrMin= 5.04D-08
 ErrMax= 5.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-12 BMatP= 8.35D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.957D-06 0.214D-04 0.112D-04-0.140D-03-0.454D-03-0.254D-03
 Coeff-Com:  0.219D-02 0.773D-02-0.303D-02-0.624D-01-0.491D-01 0.264D+00
 Coeff-Com:  0.841D+00
 Coeff:     -0.957D-06 0.214D-04 0.112D-04-0.140D-03-0.454D-03-0.254D-03
 Coeff:      0.219D-02 0.773D-02-0.303D-02-0.624D-01-0.491D-01 0.264D+00
 Coeff:      0.841D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.81D-08 MaxDP=2.00D-06 DE= 4.55D-13 OVMax= 1.63D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.32D-08    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.21D+00
                    CP:  1.36D+00  1.68D+00  1.40D+00  1.35D+00  1.38D+00
                    CP:  1.25D+00  1.20D+00  1.15D+00
 E= -766.641662781628     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 2.67D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -766.641662781628     IErMin=14 ErrMin= 2.67D-08
 ErrMax= 2.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-13 BMatP= 1.60D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.136D-05 0.131D-04 0.177D-04-0.242D-04-0.194D-03-0.522D-03
 Coeff-Com: -0.337D-03 0.405D-02 0.676D-02-0.452D-02-0.509D-01-0.136D+00
 Coeff-Com:  0.177D+00 0.100D+01
 Coeff:     -0.136D-05 0.131D-04 0.177D-04-0.242D-04-0.194D-03-0.522D-03
 Coeff:     -0.337D-03 0.405D-02 0.676D-02-0.452D-02-0.509D-01-0.136D+00
 Coeff:      0.177D+00 0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.22D-08 MaxDP=7.00D-07 DE=-4.73D-11 OVMax= 1.11D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.25D-08    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.21D+00
                    CP:  1.36D+00  1.68D+00  1.40D+00  1.34D+00  1.38D+00
                    CP:  1.27D+00  1.23D+00  1.38D+00  1.30D+00
 E= -766.641662781601     Delta-E=        0.000000000027 Rises=F Damp=F
 DIIS: error= 1.09D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -766.641662781628     IErMin=15 ErrMin= 1.09D-08
 ErrMax= 1.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.24D-14 BMatP= 3.39D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.671D-07-0.219D-05 0.888D-06 0.261D-04 0.671D-04-0.543D-04
 Coeff-Com: -0.576D-03-0.976D-03 0.192D-02 0.137D-01 0.231D-02-0.904D-01
 Coeff-Com: -0.160D+00 0.178D+00 0.106D+01
 Coeff:     -0.671D-07-0.219D-05 0.888D-06 0.261D-04 0.671D-04-0.543D-04
 Coeff:     -0.576D-03-0.976D-03 0.192D-02 0.137D-01 0.231D-02-0.904D-01
 Coeff:     -0.160D+00 0.178D+00 0.106D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.09D-08 MaxDP=3.36D-07 DE= 2.68D-11 OVMax= 5.80D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  4.58D-09    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.21D+00
                    CP:  1.36D+00  1.68D+00  1.40D+00  1.34D+00  1.38D+00
                    CP:  1.27D+00  1.24D+00  1.47D+00  1.56D+00  1.31D+00
 E= -766.641662781622     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 3.27D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=14 EnMin= -766.641662781628     IErMin=16 ErrMin= 3.27D-09
 ErrMax= 3.27D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-14 BMatP= 6.24D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-06-0.305D-05-0.323D-05 0.120D-04 0.589D-04 0.839D-04
 Coeff-Com: -0.798D-04-0.104D-02-0.730D-03 0.455D-02 0.108D-01 0.107D-02
 Coeff-Com: -0.704D-01-0.140D+00 0.280D+00 0.915D+00
 Coeff:      0.241D-06-0.305D-05-0.323D-05 0.120D-04 0.589D-04 0.839D-04
 Coeff:     -0.798D-04-0.104D-02-0.730D-03 0.455D-02 0.108D-01 0.107D-02
 Coeff:     -0.704D-01-0.140D+00 0.280D+00 0.915D+00
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.23D-09 MaxDP=1.51D-07 DE=-2.07D-11 OVMax= 1.84D-07

 SCF Done:  E(RM11) =  -766.641662782     A.U. after   16 cycles
            NFock= 16  Conv=0.42D-08     -V/T= 2.0115
 KE= 7.579170007321D+02 PE=-4.049602541667D+03 EE= 1.390824842521D+03
 Leave Link  502 at Fri Aug 13 11:02:29 2021, MaxMem=  5368709120 cpu:            7297.2 elap:             914.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.52230203D+02

 Leave Link  801 at Fri Aug 13 11:02:29 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9484 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 4.79D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 1.93D-01 9.95D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 4.11D-02 9.61D-02.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 5.99D-03 3.20D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.10D-03 1.06D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.40D-04 3.17D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 8.59D-06 5.70D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 3.59D-07 6.64D-05.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 1.70D-08 1.87D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 7.49D-10 4.40D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 2.68D-11 9.47D-07.
      8 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.14D-12 1.46D-07.
      6 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.17D-13 3.04D-08.
      4 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 5.19D-14 1.61D-08.
      2 vectors produced by pass 14 Test12= 4.07D-13 8.33D-09 XBig12= 4.13D-14 1.14D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   141 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.293041D+03
      2 -0.871673D+01  0.169957D+03
      3 -0.129053D+02  0.205562D+01  0.118995D+03
 Isotropic polarizability for W=    0.088559      194.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.263858D+03 -0.843180D+02  0.422792D+02
      2   0.835123D+02  0.657846D+02  0.611949D+01
      3   0.180345D+03  0.185334D+02 -0.483987D+02
      4  -0.756698D+02 -0.160378D+03 -0.135903D+01
      5  -0.339848D+02 -0.251920D+01  0.738700D+02
      6  -0.375027D+01 -0.450518D+02 -0.122337D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.287378D+01 -0.248527D+02  0.323815D+01
      2   0.440271D+02  0.836781D+00  0.304336D+02
      3   0.721997D+02  0.655627D+02 -0.255387D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.116017D+01 -0.511712D+02  0.307671D+02
      2   0.762640D+02  0.239125D+01 -0.106475D+03
      3   0.864818D+01  0.243890D+03 -0.123108D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.114858D+01 -0.165701D+01 -0.139326D+02
      2  -0.165701D+01 -0.211601D+01 -0.682219D+01
      3  -0.139326D+02 -0.682219D+01 -0.132627D+01
 OR G Eigenvalues:   -17.5728    -0.6257    13.6077  Iso=     1.5303
 Eigenvectors:
   (1)   0.622214   0.370971   0.689369
   (2)  -0.434306   0.896229  -0.090291
   (3)  -0.651328  -0.243217   0.718761
 w=    0.088559 a.u., Optical Rotation Beta=      1.5303 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      337.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 8.87D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.26D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.29D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 8.46D-02 5.06D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 5.40D-03 1.42D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.10D-04 1.64D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 3.70D-06 3.21D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 9.66D-08 4.53D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 1.41D-09 5.68D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 2.32D-11 5.34D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 3.62D-13 6.35D-08.
     14 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 5.79D-14 1.22D-08.
      3 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 4.22D-14 1.24D-08.
      1 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 2.77D-15 4.11D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   288 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.56D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.56D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.61D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293041D+03 -0.871673D+01 -0.129053D+02
      2  -0.871673D+01  0.169957D+03  0.205562D+01
      3  -0.129053D+02  0.205562D+01  0.118995D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.287378D+01 -0.248527D+02  0.323815D+01
      2   0.440271D+02  0.836781D+00  0.304336D+02
      3   0.721997D+02  0.655627D+02 -0.255387D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.263858D+03 -0.843180D+02  0.422792D+02
      2   0.835123D+02  0.657846D+02  0.611949D+01
      3   0.180345D+03  0.185334D+02 -0.483987D+02
      4  -0.756698D+02 -0.160378D+03 -0.135903D+01
      5  -0.339848D+02 -0.251920D+01  0.738700D+02
      6  -0.375027D+01 -0.450518D+02 -0.122337D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.314967D+02 -0.178216D+01 -0.214458D+01  0.469024D+02 -0.785213D+01
      2  -0.178216D+01 -0.383505D+00  0.261297D+00 -0.785213D+01  0.899926D+01
      3  -0.214458D+01  0.261297D+00 -0.132111D+00 -0.365976D+01  0.773590D+00
                 6             7             8             9            10 
      1  -0.365976D+01 -0.111284D+01 -0.971635D-01  0.106414D+01 -0.356425D+02
      2   0.773590D+00 -0.971635D-01  0.202301D+00  0.121211D+01  0.208625D+01
      3  -0.103849D+00  0.106414D+01  0.121211D+01 -0.120343D+00  0.231420D+01
                11            12            13            14            15 
      1   0.208625D+01  0.231420D+01 -0.470249D+02  0.736612D+01  0.371224D+01
      2  -0.425570D+01 -0.222842D+00  0.736612D+01 -0.724610D+01 -0.802787D+00
      3  -0.222842D+00  0.133300D+00  0.371224D+01 -0.802787D+00  0.186063D+00
                16            17            18            19            20 
      1   0.170191D+01 -0.679225D-02 -0.129079D+01 -0.404317D+02  0.497184D+01
      2  -0.679225D-02  0.247604D+00 -0.948165D+00  0.497184D+01 -0.434987D+01
      3  -0.129079D+01 -0.948165D+00  0.181011D-01  0.241100D+01 -0.298593D+00
                21            22            23            24            25 
      1   0.241100D+01  0.170257D+02 -0.212239D+01 -0.382397D+00  0.377837D+01
      2  -0.298593D+00 -0.212239D+01  0.312524D+01  0.280252D+00  0.194031D+00
      3  -0.456195D+00 -0.382397D+00  0.280252D+00  0.232927D+01  0.110052D+01
                26            27            28            29            30 
      1   0.194031D+00  0.110052D+01  0.429027D+02 -0.297665D+01 -0.170351D+01
      2   0.217437D+00  0.360041D+01 -0.297665D+01  0.356316D+01  0.311944D+00
      3   0.360041D+01 -0.703374D-01 -0.170351D+01  0.311944D+00  0.238727D+01
                31            32            33            34            35 
      1  -0.652117D+01  0.930215D+00  0.248391D+00 -0.119861D+01  0.985937D-01
      2   0.930215D+00 -0.770514D+01 -0.617141D+00  0.985937D-01 -0.875815D+00
      3   0.248391D+00 -0.617141D+00 -0.592716D+00  0.603538D+01 -0.768417D+00
                36            37            38            39            40 
      1   0.603538D+01  0.914475D+01  0.135214D+00 -0.208636D+00 -0.633757D+01
      2  -0.768417D+00  0.135214D+00  0.778755D+01  0.244402D+00  0.153568D+01
      3  -0.881833D+00 -0.208636D+00  0.244402D+00  0.186773D+01  0.425835D-01
                41            42            43            44            45 
      1   0.153568D+01  0.425835D-01 -0.906900D+00 -0.141196D+00  0.419525D+01
      2   0.380600D+01  0.151826D+00 -0.141196D+00 -0.571097D+00 -0.218781D+01
      3   0.151826D+00 -0.102494D+01  0.419525D+01 -0.218781D+01 -0.124485D+01
                46            47            48            49            50 
      1  -0.127105D+02  0.125625D+01  0.952236D+00 -0.771049D+00  0.898451D+00
      2   0.125625D+01 -0.491563D+01 -0.769649D+00  0.898451D+00  0.732534D-01
      3   0.952236D+00 -0.769649D+00 -0.155844D+01  0.196198D-01  0.125104D-01
                51            52            53            54            55 
      1   0.196198D-01  0.985025D+00 -0.541620D+00 -0.117181D+01  0.140668D+02
      2   0.125104D-01 -0.541620D+00  0.618004D+00 -0.365840D+01 -0.286191D+01
      3  -0.152472D+01 -0.117181D+01 -0.365840D+01 -0.136718D-01 -0.972425D+00
                56            57            58            59            60 
      1  -0.286191D+01 -0.972425D+00 -0.118052D+01 -0.912172D+00  0.215214D+00
      2   0.945832D+01  0.609513D+00 -0.912172D+00 -0.980126D+00 -0.601151D-01
      3   0.609513D+00  0.163825D+01  0.215214D+00 -0.601151D-01  0.160864D+01
                61            62            63            64            65 
      1  -0.117221D+01  0.554019D+00  0.966182D+00  0.122206D+01  0.224937D+01
      2   0.554019D+00 -0.103826D+01  0.363475D+01  0.224937D+01  0.154359D+01
      3   0.966182D+00  0.363475D+01 -0.156097D+00 -0.837142D-01 -0.160318D+00
                66            67            68            69            70 
      1  -0.837142D-01  0.244785D+01  0.297595D+01 -0.112082D+00 -0.189046D+00
      2  -0.160318D+00  0.297595D+01  0.766957D+01 -0.215852D+00 -0.174009D+00
      3   0.176525D+00 -0.112082D+00 -0.215852D+00  0.886944D+00 -0.239447D-01
                71            72            73            74            75 
      1  -0.174009D+00 -0.239447D-01  0.645860D+01 -0.306810D+01 -0.634438D+00
      2  -0.409023D-01  0.246577D+00 -0.306810D+01  0.271492D+01  0.236397D+00
      3   0.246577D+00 -0.472153D-01 -0.634438D+00  0.236397D+00  0.643032D+00
                76            77            78            79            80 
      1  -0.387112D+01  0.406495D+01  0.410281D+00 -0.747035D+00  0.225179D+00
      2   0.406495D+01 -0.504162D+01 -0.448428D+00  0.225179D+00 -0.215054D+00
      3   0.410281D+00 -0.448428D+00 -0.741317D+00 -0.177666D+00 -0.290837D+00
                81            82            83            84            85 
      1  -0.177666D+00 -0.112785D+01 -0.157807D+01  0.398417D-01 -0.756462D+00
      2  -0.290837D+00 -0.157807D+01 -0.208736D+01  0.446899D-01 -0.143463D+01
      3  -0.343129D-01  0.398417D-01  0.446899D-01 -0.204631D+00 -0.707729D-01
                86            87            88            89            90 
      1  -0.143463D+01 -0.707729D-01  0.160325D+00  0.954078D-01  0.570430D-01
      2  -0.101330D+02 -0.150888D+00  0.954078D-01 -0.301285D-01 -0.357530D+00
      3  -0.150888D+00 -0.955991D+00  0.570430D-01 -0.357530D+00 -0.243221D-01
                91            92            93            94            95 
      1  -0.137366D+02  0.199773D+01 -0.729718D-02  0.213301D+01 -0.739698D+00
      2   0.199773D+01 -0.307308D+00 -0.377890D-01 -0.739698D+00 -0.510427D+01
      3  -0.729718D-02 -0.377890D-01 -0.344528D+01 -0.904755D+00  0.544759D-01
                96            97            98            99           100 
      1  -0.904755D+00  0.220939D+00 -0.501160D+00 -0.758040D+01 -0.676921D+01
      2   0.544759D-01 -0.501160D+00 -0.360005D+00  0.138560D+01 -0.230137D+01
      3   0.140720D+01 -0.758040D+01  0.138560D+01  0.440808D-01  0.123895D+01
               101           102           103           104           105 
      1  -0.230137D+01  0.123895D+01 -0.573006D+01  0.592825D+00  0.915196D+00
      2   0.224183D+00 -0.263399D+00  0.592825D+00  0.449865D+01  0.123794D+01
      3  -0.263399D+00  0.344905D+01  0.915196D+00  0.123794D+01 -0.289001D+01
               106           107           108           109           110 
      1  -0.436944D+01  0.519584D+00  0.533380D+01 -0.622627D+01  0.208134D+01
      2   0.519584D+00  0.682327D+00 -0.230913D+01  0.208134D+01 -0.668056D+00
      3   0.533380D+01 -0.230913D+01 -0.197753D+00  0.366272D+00  0.184397D+00
               111           112           113           114           115 
      1   0.366272D+00  0.151104D+01 -0.437026D+00  0.504709D+00  0.607739D+01
      2   0.184397D+00 -0.437026D+00  0.969096D+00  0.346806D+00 -0.211197D+00
      3   0.967196D+00  0.504709D+00  0.346806D+00 -0.639494D+00  0.397933D+01
               116           117           118           119           120 
      1  -0.211197D+00  0.397933D+01 -0.983188D+00  0.144768D+01  0.101369D+00
      2   0.101529D+01 -0.492449D+00  0.144768D+01  0.823142D+00 -0.945371D-01
      3  -0.492449D+00  0.944971D+00  0.101369D+00 -0.945371D-01  0.839120D+00
               121           122           123           124           125 
      1   0.298211D+01  0.195182D+01 -0.209705D-02  0.530840D+00 -0.275806D-01
      2   0.195182D+01  0.668578D+01 -0.242206D+00 -0.275806D-01  0.295492D-04
      3  -0.209705D-02 -0.242206D+00  0.136772D+01  0.124419D+01  0.897759D+00
               126           127           128           129           130 
      1   0.124419D+01  0.141093D+02  0.131920D+01 -0.314022D+01  0.282392D+01
      2   0.897759D+00  0.131920D+01  0.111829D+01 -0.162905D+00  0.155016D+01
      3  -0.226843D+00 -0.314022D+01 -0.162905D+00  0.197620D+01 -0.806322D+00
               131           132           133           134           135 
      1   0.155016D+01 -0.806322D+00 -0.109119D+01 -0.217315D+00  0.120719D+01
      2   0.273062D+00 -0.493554D+00 -0.217315D+00 -0.139094D-01  0.487800D+00
      3  -0.493554D+00  0.922089D+00  0.120719D+01  0.487800D+00 -0.561615D+00
               136           137           138           139           140 
      1  -0.587752D+00  0.608593D+00 -0.989410D+00  0.127032D+01 -0.102810D+00
      2   0.608593D+00 -0.615346D+00  0.468294D+00 -0.102810D+00  0.799145D+00
      3  -0.989410D+00  0.468294D+00 -0.291178D+01 -0.206199D+00 -0.162685D+01
               141           142           143           144           145 
      1  -0.206199D+00 -0.613094D+00 -0.115220D-01 -0.541404D+00  0.565644D+00
      2  -0.162685D+01 -0.115220D-01 -0.127965D+01  0.164232D+01 -0.838503D+00
      3   0.274403D+01 -0.541404D+00  0.164232D+01 -0.697666D+01 -0.111131D+00
               146           147           148           149           150 
      1  -0.838503D+00 -0.111131D+00 -0.231549D+01  0.785397D+00  0.925811D+00
      2   0.547585D-01  0.526537D-01  0.785397D+00 -0.614472D+01 -0.166383D+01
      3   0.526537D-01 -0.540763D+00  0.925811D+00 -0.166383D+01 -0.194373D+01
               151           152           153           154           155 
      1   0.325609D+00  0.260377D+00 -0.274559D+00  0.186495D+02 -0.332628D+01
      2   0.260377D+00 -0.727761D+00 -0.859859D+00 -0.332628D+01  0.212906D+01
      3  -0.274559D+00 -0.859859D+00 -0.676825D+00  0.755956D+00 -0.194280D+00
               156           157           158           159           160 
      1   0.755956D+00 -0.566663D+01  0.448649D+01 -0.488999D+00  0.141801D+01
      2  -0.194280D+00  0.448649D+01 -0.303211D+01  0.189130D+00 -0.358799D+00
      3   0.289834D+01 -0.488999D+00  0.189130D+00 -0.103825D+01  0.265152D+01
               161           162           163           164           165 
      1  -0.358799D+00  0.265152D+01  0.994749D+01 -0.114075D+01  0.348696D+01
      2  -0.316000D+00 -0.901906D+00 -0.114075D+01  0.114001D+00  0.187119D+00
      3  -0.901906D+00 -0.163036D+00  0.348696D+01  0.187119D+00  0.100662D+01
               166           167           168           169           170 
      1  -0.317513D+01  0.144965D+00 -0.563841D+00  0.184317D+01  0.345074D+00
      2   0.144965D+00  0.255459D+00  0.143818D+01  0.345074D+00  0.472557D+00
      3  -0.563841D+00  0.143818D+01 -0.472932D+00  0.742259D+00  0.232146D+00
               171           172           173           174           175 
      1   0.742259D+00 -0.922392D+01  0.938284D+00 -0.174580D+01  0.259494D+01
      2   0.232146D+00  0.938284D+00 -0.392652D+00 -0.168782D+00 -0.104549D+00
      3   0.715068D+01 -0.174580D+01 -0.168782D+00 -0.248487D+01  0.439561D+00
               176           177           178           179           180 
      1  -0.104549D+00  0.439561D+00 -0.487290D+01  0.893800D-01 -0.195205D+01
      2   0.523093D+00  0.654241D+00  0.893800D-01  0.839353D+00  0.237301D+00
      3   0.654241D+00  0.902052D+00 -0.195205D+01  0.237301D+00  0.352708D+00
               181           182           183           184           185 
      1  -0.120032D+02  0.464391D+00  0.405628D+00  0.522659D+01  0.103728D+00
      2   0.464391D+00 -0.992193D+01  0.128627D+00  0.103728D+00 -0.675712D+01
      3   0.405628D+00  0.128627D+00 -0.197090D+01 -0.214867D+00 -0.116294D+00
               186           187           188           189           190 
      1  -0.214867D+00  0.277196D+00  0.294700D+00 -0.461774D+01 -0.390456D+02
      2  -0.116294D+00  0.294700D+00  0.576915D+00  0.267893D+01  0.897118D+00
      3   0.114069D+01 -0.461774D+01  0.267893D+01  0.999698D+00  0.207692D+01
               191           192           193           194           195 
      1   0.897118D+00  0.207692D+01  0.145525D+02 -0.795369D+00 -0.848263D+00
      2  -0.656258D+01 -0.118719D+00 -0.795369D+00  0.137918D+02  0.196331D+00
      3  -0.118719D+00 -0.338110D+01 -0.848263D+00  0.196331D+00  0.330214D+00
               196           197           198           199           200 
      1   0.246759D+01  0.136220D+00 -0.665173D+01  0.404645D+02 -0.372481D+01
      2   0.136220D+00  0.810551D+00  0.650584D+00 -0.372481D+01  0.838447D+01
      3  -0.665173D+01  0.650584D+00  0.131496D+01 -0.285776D+01  0.615570D-01
               201           202           203           204           205 
      1  -0.285776D+01 -0.173002D+02 -0.127902D+00  0.108515D+01 -0.367508D+01
      2   0.615570D-01 -0.127902D+00 -0.498179D+01  0.632754D-01  0.460402D-02
      3   0.335012D+00  0.108515D+01  0.632754D-01 -0.251312D+01  0.571161D+00
               206           207           208           209           210 
      1   0.460402D-02  0.571161D+00  0.774211D+01  0.131268D+01 -0.531228D+00
      2  -0.649088D+00 -0.351397D+01  0.131268D+01  0.170464D+01  0.299832D-01
      3  -0.351397D+01 -0.293884D+00 -0.531228D+00  0.299832D-01  0.340962D+00
               211           212           213           214           215 
      1   0.266971D+01 -0.138098D+01 -0.324959D+00 -0.633863D+00 -0.103397D+00
      2  -0.138098D+01  0.200818D+01  0.176785D+00 -0.103397D+00 -0.119105D+00
      3  -0.324959D+00  0.176785D+00 -0.883123D+00 -0.490754D+00  0.429545D+00
               216           217           218           219           220 
      1  -0.490754D+00  0.407272D+01 -0.114314D+01 -0.518190D+00 -0.353399D+01
      2   0.429545D+00 -0.114314D+01 -0.254774D+01  0.432705D+00 -0.699559D-01
      3   0.846422D-01 -0.518190D+00  0.432705D+00 -0.211745D+01  0.723546D+00
               221           222           223           224           225 
      1  -0.699559D-01  0.723546D+00 -0.322934D+00  0.458404D+00  0.453517D+00
      2  -0.763471D+00 -0.221862D+00  0.458404D+00  0.249579D-01  0.390853D+01
      3  -0.221862D+00  0.535460D+01  0.453517D+00  0.390853D+01  0.422566D+00
               226           227           228           229           230 
      1   0.855322D+00  0.132901D+01 -0.422112D-01  0.450513D+00  0.775869D+00
      2   0.132901D+01  0.233662D+01 -0.431561D-01  0.775869D+00  0.107020D+02
      3  -0.422112D-01 -0.431561D-01  0.189134D+00  0.578405D-01  0.946117D-01
               231           232           233           234           235 
      1   0.578405D-01 -0.798875D-01 -0.570724D-01 -0.191593D+00 -0.715293D+01
      2   0.946117D-01 -0.570724D-01  0.367100D-01  0.402765D+00  0.449150D+01
      3   0.959526D+00 -0.191593D+00  0.402765D+00  0.644200D-01  0.609095D+00
               236           237           238           239           240 
      1   0.449150D+01  0.609095D+00  0.505871D+01 -0.512932D+01 -0.433121D+00
      2  -0.394510D+01 -0.377572D+00 -0.512932D+01  0.592421D+01  0.486718D+00
      3  -0.377572D+00 -0.743494D+00 -0.433121D+00  0.486718D+00  0.850369D+00
               241           242           243           244           245 
      1   0.768842D+00 -0.463432D+00  0.801521D-01 -0.127047D+01 -0.215649D+01
      2  -0.463432D+00  0.436541D+00  0.430641D+00 -0.215649D+01 -0.116762D+01
      3   0.801521D-01  0.430641D+00  0.778777D-01  0.301538D-01  0.140846D+00
               246           247           248           249           250 
      1   0.301538D-01 -0.333579D+01 -0.315997D+01  0.112600D+00 -0.372154D-02
      2   0.140846D+00 -0.315997D+01 -0.675265D+01  0.818045D-01  0.102269D+00
      3  -0.120778D+00  0.112600D+00  0.818045D-01 -0.696944D+00 -0.111389D+00
               251           252           253           254           255 
      1   0.102269D+00 -0.111389D+00  0.752711D-02  0.164885D+00 -0.800660D+00
      2  -0.573193D-01 -0.227565D-02  0.164885D+00  0.414407D+00 -0.166109D-01
      3  -0.227565D-02 -0.198040D-01 -0.800660D+00 -0.166109D-01  0.895489D+00
               256           257           258           259           260 
      1  -0.645346D+00 -0.144479D+01 -0.955001D+00 -0.318567D+01 -0.185600D+01
      2  -0.144479D+01 -0.270588D+01 -0.189492D+01 -0.185600D+01 -0.238204D+01
      3  -0.955001D+00 -0.189492D+01 -0.229878D+01 -0.167116D+01 -0.254299D+01
               261           262           263           264           265 
      1  -0.167116D+01 -0.156753D+02 -0.131153D+01  0.104747D+01  0.939719D+00
      2  -0.254299D+01 -0.131153D+01 -0.113163D+01  0.619223D-01 -0.118450D+01
      3  -0.486214D+01  0.104747D+01  0.619223D-01 -0.116286D+01 -0.984012D-01
               266           267           268           269           270 
      1  -0.118450D+01 -0.984012D-01  0.105760D+01  0.631361D-01 -0.160527D+01
      2   0.215755D+00  0.125626D+00  0.631361D-01  0.126863D+00 -0.466594D+00
      3   0.125626D+00 -0.121513D+00 -0.160527D+01 -0.466594D+00  0.320387D+00
               271           272           273           274           275 
      1   0.881234D+00  0.458452D+00  0.655173D+00 -0.423667D+00 -0.116443D+01
      2   0.458452D+00  0.880919D+00 -0.527193D+00 -0.116443D+01 -0.297161D+01
      3   0.655173D+00 -0.527193D+00  0.148744D+01  0.659094D+00  0.219062D+01
               276           277           278           279 
      1   0.659094D+00  0.256159D+01  0.132727D+01 -0.132935D+01
      2   0.219062D+01  0.132727D+01  0.236870D+01 -0.277743D+01
      3  -0.254796D+01 -0.132935D+01 -0.277743D+01  0.477646D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.220632D+01  0.281586D+01 -0.879569D-01  0.515509D+01 -0.300701D+01
      2   0.638772D+01 -0.361414D+00 -0.810149D+00  0.103193D+02 -0.140179D+01
      3   0.323420D+02  0.251172D+02 -0.163742D+01  0.507626D+02 -0.144062D+02
                 6             7             8             9            10 
      1  -0.510369D+00 -0.344548D+01  0.716657D+01  0.388348D+00 -0.863064D+00
      2   0.968730D+00 -0.182882D+02  0.152106D+01  0.150844D+01 -0.109142D+02
      3  -0.371972D+01 -0.525785D+00 -0.313300D+01  0.213946D+01 -0.161903D+02
                11            12            13            14            15 
      1   0.400462D+01  0.385056D+00  0.226504D+01 -0.579939D+00  0.543066D+00
      2   0.242614D+00 -0.442860D+01 -0.110212D+02  0.176594D+01  0.385595D+00
      3   0.305330D+02  0.152676D+01  0.363357D+02 -0.222877D+02 -0.347629D+01
                16            17            18            19            20 
      1  -0.288972D+01  0.771444D+01  0.217663D+00 -0.340706D+01 -0.661874D+00
      2  -0.179406D+02  0.803629D+00  0.160325D+01 -0.119160D+02  0.203663D+01
      3   0.259649D+01 -0.364066D+01 -0.109590D+01 -0.416458D+02 -0.189651D+02
                21            22            23            24            25 
      1   0.882496D+00 -0.445107D+00 -0.120988D+01 -0.291041D+01 -0.525301D+01
      2   0.115601D+00  0.517765D+01 -0.101003D+01  0.175905D+01 -0.178115D+02
      3   0.228785D+01  0.149473D+02 -0.164315D+01 -0.324342D+00  0.258246D+01
                26            27            28            29            30 
      1   0.424886D+00 -0.146306D+01 -0.570362D-01  0.925743D+00 -0.226656D+00
      2   0.694084D+01  0.139583D+01  0.128413D+02 -0.102712D+01  0.122929D+01
      3   0.199583D+01 -0.325125D+01  0.163371D+02  0.377257D+01 -0.827647D+00
                31            32            33            34            35 
      1   0.474339D+01  0.244848D+01  0.240562D+01 -0.216873D+01  0.125132D+02
      2  -0.765793D+00  0.203961D+00 -0.137780D+01 -0.123426D+02  0.141525D+01
      3   0.196503D+02 -0.474259D+00 -0.380501D+00  0.843741D+00 -0.148024D+01
                36            37            38            39            40 
      1   0.975316D+00 -0.483905D+00 -0.189837D+01  0.376558D+01 -0.120708D+01
      2   0.158097D+01  0.108113D+01 -0.244669D+00  0.133974D+01 -0.281116D+01
      3   0.367224D+01 -0.205472D+02 -0.165846D+01  0.568831D+00 -0.454971D+01
                41            42            43            44            45 
      1  -0.188866D+01 -0.790603D+00  0.138579D+02  0.627978D+01 -0.915201D+00
      2   0.733100D+00 -0.129795D+01 -0.108408D+02 -0.574797D+01  0.141774D+01
      3  -0.492225D+01 -0.634461D+00 -0.666066D+00 -0.118560D+01 -0.454119D+01
                46            47            48            49            50 
      1   0.152269D+01 -0.833794D+00 -0.382344D+01 -0.102733D+01  0.143704D+01
      2  -0.398836D+01  0.444852D+00  0.119865D+01  0.837240D-01  0.414000D-01
      3   0.376969D+02 -0.280252D+02 -0.249635D+01 -0.824013D+01  0.184798D+02
                51            52            53            54            55 
      1  -0.266842D+01 -0.819041D+01 -0.167005D+01  0.252036D+01  0.171691D+01
      2  -0.683067D+00 -0.174600D+02  0.468769D-01  0.720848D+00  0.338191D-01
      3   0.135517D+01 -0.299641D+01  0.273088D+01  0.476529D+01  0.272352D+02
                56            57            58            59            60 
      1  -0.317136D+01 -0.499717D+01  0.384627D-01  0.175578D+01 -0.292143D+01
      2  -0.926762D+00 -0.403777D+01  0.115737D+00 -0.311775D+00 -0.395886D+01
      3  -0.137533D+02 -0.103941D+01 -0.308573D+00  0.167347D+02  0.274869D+00
                61            62            63            64            65 
      1  -0.779819D+01 -0.302345D+01  0.118622D+01 -0.454903D+00  0.864754D-01
      2  -0.211161D+02 -0.555929D+01  0.169760D+01  0.121767D+00  0.417195D+00
      3  -0.107606D+01  0.145008D+01  0.113919D+02  0.557447D+00  0.916665D+00
                66            67            68            69            70 
      1  -0.117078D+01 -0.552612D+00 -0.165932D+01 -0.400644D+01 -0.115757D+00
      2   0.349541D+00  0.577389D+00  0.575228D+00  0.136955D+01 -0.153629D+01
      3   0.665607D-01  0.492080D+01 -0.477941D+01 -0.313115D-01  0.134324D+00
                71            72            73            74            75 
      1   0.186646D+01  0.210647D+00 -0.577846D+00 -0.624013D+00  0.276620D+01
      2  -0.917316D+00 -0.399223D-01  0.211168D+01 -0.102110D+01  0.173675D+01
      3  -0.372270D+00  0.605905D+00 -0.957403D+01  0.206230D+00  0.918773D+00
                76            77            78            79            80 
      1  -0.100517D+01  0.129314D+01 -0.273294D+01 -0.161253D+01  0.131078D+01
      2  -0.122440D+01  0.103663D+01 -0.230679D+01 -0.256075D+01  0.838928D-02
      3   0.190055D+01  0.231211D+01  0.115025D+00  0.197201D+01  0.151019D+00
                81            82            83            84            85 
      1  -0.193680D-01  0.812432D+00  0.897862D+00 -0.128823D+01  0.364877D+00
      2  -0.230603D-01 -0.303458D+00 -0.394614D+00  0.696888D+00 -0.210100D+00
      3   0.356899D+00  0.527337D+01  0.250148D+01 -0.230418D+00  0.530579D+01
                86            87            88            89            90 
      1   0.276148D+01 -0.444030D+01  0.125615D+01  0.170168D+01 -0.487619D-01
      2  -0.475633D+00  0.103959D+01 -0.377138D+00  0.776140D+00  0.378356D-01
      3   0.371727D+01  0.817387D-01 -0.662352D+00 -0.267650D+00 -0.850422D+00
                91            92            93            94            95 
      1  -0.250941D+01  0.803103D+00  0.805377D+00  0.231155D+01  0.217608D+01
      2  -0.981737D+01  0.123713D+01 -0.779302D+01 -0.109160D+00 -0.885652D+00
      3  -0.109096D+02 -0.321045D+01 -0.201945D+00  0.112899D+02  0.226566D+02
                96            97            98            99           100 
      1  -0.271729D+01  0.313059D+01  0.379072D+01 -0.111726D+01  0.425250D+01
      2   0.392469D+01 -0.349127D+02  0.476617D+01 -0.331349D+01 -0.123109D+02
      3  -0.102432D+01  0.516244D+00  0.100842D+01 -0.870996D+01  0.140417D+02
               101           102           103           104           105 
      1  -0.210619D+01  0.618113D+00  0.517035D+00 -0.107644D+02 -0.669865D+01
      2  -0.453225D+01  0.209726D+02 -0.298409D+01  0.591075D+01 -0.111293D+02
      3  -0.535765D+01 -0.587456D+00 -0.844820D-01 -0.227691D+02 -0.598146D+01
               106           107           108           109           110 
      1  -0.120291D+01 -0.792798D+00  0.707306D+01  0.494225D+01 -0.193474D+01
      2   0.148904D+02 -0.926557D+01  0.828501D+01  0.154929D+02 -0.235960D+01
      3  -0.345829D+01 -0.482700D+01  0.110231D+02  0.126994D+01  0.127390D+02
               111           112           113           114           115 
      1  -0.792758D+01 -0.108671D+02  0.299375D+01 -0.135945D+02 -0.670381D+01
      2   0.267978D+01 -0.307878D+00  0.207175D+01  0.649983D+01  0.993606D+01
      3   0.266524D+01  0.166919D+02 -0.142862D+02  0.101039D+01  0.469759D+01
               116           117           118           119           120 
      1  -0.414483D+01 -0.226934D+01 -0.743049D+00 -0.683238D+00 -0.280832D+00
      2   0.169990D+01  0.307907D+01 -0.523050D-01  0.417873D+00  0.339812D+01
      3  -0.336552D+00  0.424156D+01 -0.742436D+01 -0.261882D+01  0.227444D+00
               121           122           123           124           125 
      1  -0.882659D+00 -0.377259D+01 -0.253942D+01 -0.254486D+00  0.193429D+00
      2   0.110917D+01  0.719148D+00  0.434056D+01  0.250371D+01  0.269567D+01
      3  -0.167553D+01 -0.241794D+02  0.647770D+00  0.766622D+00 -0.148194D+00
               126           127           128           129           130 
      1  -0.514482D-02 -0.220533D+01 -0.306939D+01 -0.115889D+00 -0.306847D+01
      2  -0.153201D+00  0.125127D+02  0.188728D+01  0.569274D+01  0.162830D+01
      3  -0.229410D+01 -0.541859D+01 -0.746996D+01  0.622811D+00 -0.558429D+01
               131           132           133           134           135 
      1  -0.117065D+00 -0.757656D-01  0.657826D+00  0.819938D+00 -0.109088D+01
      2   0.580059D+00  0.295054D+01  0.218290D+01  0.138859D+01  0.768374D-01
      3  -0.562025D+00  0.190083D+01  0.686934D+00  0.146327D+01 -0.200064D+01
               136           137           138           139           140 
      1  -0.181424D+01  0.261626D+01 -0.892573D+00  0.106051D+01 -0.214862D+01
      2  -0.745422D+01  0.333913D+01 -0.127241D+02  0.235950D+01 -0.674517D+01
      3  -0.307940D+01  0.235303D+01 -0.180766D+01  0.211930D+01 -0.268588D+01
               141           142           143           144           145 
      1   0.222002D+01 -0.919616D-01  0.465665D+01 -0.367970D+01  0.282536D+01
      2   0.105578D+02 -0.634731D+01  0.704872D+01 -0.282891D+02 -0.640341D-01
      3   0.609619D+01  0.775968D-01  0.442826D+01 -0.652467D+01  0.530932D+01
               146           147           148           149           150 
      1   0.309782D+00 -0.493073D+00 -0.213681D+00  0.141947D+02  0.425472D+00
      2  -0.130675D+01 -0.175719D+01 -0.942644D+00 -0.552689D+01 -0.605185D+01
      3   0.439130D+00 -0.675321D+00  0.143353D+01  0.268397D+02  0.604434D+01
               151           152           153           154           155 
      1  -0.806097D+00  0.225458D+01  0.158621D+01 -0.431925D+01  0.264710D+01
      2  -0.140664D+01 -0.272805D+01 -0.293367D+01 -0.968909D+01  0.176938D+01
      3  -0.215653D+01  0.257022D+01  0.372565D+01  0.119486D+02 -0.218825D+02
               156           157           158           159           160 
      1   0.424748D+01  0.767098D+01 -0.383021D+01 -0.823073D+00  0.193709D+01
      2   0.214560D+02 -0.224198D+01 -0.212894D+01 -0.922797D+01  0.782712D+01
      3  -0.254671D+00 -0.173309D+02  0.178947D+02 -0.135598D+01  0.255562D+00
               161           162           163           164           165 
      1   0.301385D+01 -0.711028D+00 -0.564813D+01  0.195394D+01  0.990476D+00
      2  -0.387674D+01 -0.219835D+01 -0.877031D+01  0.379608D+01  0.131776D+01
      3  -0.112767D+01  0.357538D+01  0.844780D+01 -0.436048D+01  0.279517D+00
               166           167           168           169           170 
      1   0.503704D+01 -0.228096D+00  0.419663D+01 -0.183892D+01  0.838579D+01
      2   0.537529D+01  0.511062D+01 -0.287112D+01 -0.697157D+01  0.814149D+00
      3  -0.149003D+01 -0.318634D-01 -0.695951D+01 -0.321178D+00 -0.214153D+01
               171           172           173           174           175 
      1  -0.702948D+00  0.627057D+01 -0.226839D+01  0.128624D+01 -0.550838D+01
      2   0.241869D+02  0.194802D+02 -0.327062D+01 -0.520212D+01 -0.524148D+01
      3  -0.109408D+01 -0.750559D+01  0.243336D+01 -0.898252D+00  0.628152D+01
               176           177           178           179           180 
      1   0.645217D+00 -0.232852D+01  0.188011D+01 -0.551327D+00  0.911830D+00
      2   0.296208D+01  0.241366D+01 -0.604918D+00  0.377919D+00  0.276474D+01
      3  -0.109497D+01 -0.721542D+00 -0.341330D+01  0.296744D+00 -0.156530D+01
               181           182           183           184           185 
      1  -0.565079D-01  0.158853D+01  0.517672D+01 -0.784562D+00 -0.856941D+00
      2  -0.144407D+01 -0.304644D+00  0.661288D+01  0.100493D+01  0.112233D+01
      3  -0.211605D+02 -0.105122D+02  0.104682D+01 -0.253526D+01 -0.241141D+02
               186           187           188           189           190 
      1  -0.145279D+01  0.151373D+02  0.716148D+01 -0.217322D+01 -0.170027D+01
      2  -0.215742D+01  0.907525D+00 -0.995566D+01 -0.185526D+01 -0.821829D+01
      3  -0.393155D+00  0.563766D-01 -0.253915D+00 -0.186270D+01 -0.241562D+02
               191           192           193           194           195 
      1   0.379390D+01  0.875976D+00  0.398805D+01 -0.125198D+01  0.382382D+01
      2  -0.315164D+00  0.148956D+01  0.248127D+01 -0.119082D+01 -0.778414D+00
      3   0.163125D+02  0.227659D+01  0.445199D+02  0.214831D+02 -0.331374D+01
               196           197           198           199           200 
      1  -0.234014D+01  0.119896D+02  0.499222D+00  0.323413D+00 -0.293425D+01
      2   0.237592D+01 -0.192184D+01 -0.180772D+01  0.824291D+01  0.211690D+00
      3   0.352034D+01 -0.218965D+01  0.361240D-01  0.646062D+01 -0.196294D+02
               201           202           203           204           205 
      1  -0.265291D-01 -0.930702D+00  0.991339D+00 -0.298091D+01 -0.104826D+01
      2   0.242694D+01 -0.285639D+01 -0.303011D+00  0.519689D+01 -0.218468D+02
      3  -0.145768D+01 -0.121905D+02 -0.640621D+00  0.162989D+01 -0.212380D+01
               206           207           208           209           210 
      1   0.318403D+01  0.396605D+00  0.134479D+01 -0.337515D+01 -0.103886D+01
      2   0.125107D+02  0.194870D+01  0.193678D+01  0.457803D+00  0.997895D+01
      3   0.191844D+01 -0.652276D+01  0.199310D+02 -0.347262D+02 -0.202824D+01
               211           212           213           214           215 
      1  -0.909739D-01  0.214443D+00 -0.678599D+01  0.339051D+01  0.425950D+00
      2   0.121723D+01 -0.479058D+00  0.711620D+01 -0.367576D+01 -0.439068D+01
      3   0.330518D+01  0.608248D+01  0.450744D+00 -0.187844D+01  0.294544D+01
               216           217           218           219           220 
      1  -0.310299D+00 -0.179526D+01  0.541314D+00 -0.330442D+01  0.232163D+00
      2  -0.612766D+00  0.242241D+01 -0.219321D+01  0.121049D+02 -0.329915D+01
      3   0.158138D+01 -0.286605D+02 -0.122062D+02  0.525159D+01 -0.447628D+01
               221           222           223           224           225 
      1   0.954338D+00  0.896121D+01  0.831323D+01  0.107684D+02  0.167819D+01
      2   0.910433D+00 -0.311101D+02 -0.240589D+01 -0.218091D+02 -0.252625D+01
      3   0.144833D+02 -0.130186D+01  0.437263D+01 -0.791529D+00  0.286091D+02
               226           227           228           229           230 
      1   0.281132D+00  0.247684D+00 -0.140254D+01 -0.134374D+00 -0.253553D+00
      2   0.356232D-01  0.936059D-01  0.186720D+00 -0.135949D+00 -0.361902D+00
      3   0.738078D+01  0.671508D+01 -0.350071D+00  0.543538D+01  0.226617D+02
               231           232           233           234           235 
      1  -0.489244D+01  0.957636D+00  0.158948D+01 -0.171918D+00 -0.875994D+00
      2  -0.774167D+00  0.273668D+00 -0.221862D+00 -0.112322D+00 -0.140695D+01
      3   0.347835D+00 -0.556727D+00 -0.189511D+00 -0.933741D-01 -0.478562D+00
               236           237           238           239           240 
      1   0.234805D+00  0.260244D+01  0.287199D+00 -0.140383D+00 -0.310962D+01
      2   0.894486D+00  0.382173D+01  0.953958D+00 -0.122783D+01 -0.412392D+01
      3  -0.652102D+01 -0.783996D-01 -0.679652D+01  0.120708D+02  0.887989D+00
               241           242           243           244           245 
      1  -0.213410D+01  0.682021D+00 -0.251914D-01  0.246067D+00  0.313042D+00
      2  -0.233816D+01 -0.159977D+01 -0.252600D+00 -0.291353D+00 -0.535933D+00
      3   0.202432D+00  0.616593D+00  0.171137D+01 -0.206103D+01 -0.138743D+01
               246           247           248           249           250 
      1  -0.628529D+00  0.466736D+00  0.194527D+00 -0.303680D+01 -0.427656D+00
      2   0.455165D+00 -0.503428D+00 -0.302444D+00  0.214609D+01 -0.125733D+01
      3   0.165677D+00 -0.137733D+00 -0.162918D+02 -0.160361D+00  0.221626D+00
               251           252           253           254           255 
      1   0.151443D+01  0.411035D-01 -0.919428D+00  0.113413D+00  0.195871D+01
      2  -0.115471D+01  0.786728D-01  0.597169D+01  0.457042D+00 -0.429211D+01
      3  -0.420586D+00  0.325817D+00 -0.127521D+01  0.439215D+01  0.176388D+01
               256           257           258           259           260 
      1  -0.899815D+00 -0.275134D+01 -0.502432D+01 -0.287943D+01 -0.252940D+01
      2   0.461880D+01  0.100269D+02  0.128162D+02  0.482583D+01  0.138070D+02
      3  -0.444547D+01 -0.176893D+02 -0.114772D+02 -0.546936D+01 -0.146692D+02
               261           262           263           264           265 
      1  -0.932640D+01  0.107981D+01 -0.466592D+00 -0.153146D+01 -0.310291D+00
      2   0.261760D+02 -0.237585D+01 -0.484424D-01  0.859326D+01  0.378640D+00
      3  -0.170872D+02  0.116248D+02 -0.835264D+01 -0.105860D+01 -0.585019D+01
               266           267           268           269           270 
      1   0.226359D+00 -0.901809D+00 -0.210293D+01 -0.264588D+00  0.233206D+00
      2  -0.440628D+00  0.693786D+00  0.730541D+01  0.242593D+01 -0.153914D+01
      3   0.270593D+01  0.778920D+00 -0.111508D+01  0.998811D+00 -0.169543D+01
               271           272           273           274           275 
      1   0.606428D+00  0.133919D+00  0.287567D+01  0.245030D+00  0.114451D+01
      2  -0.611082D+01  0.216831D+01 -0.730964D+01 -0.274614D+01 -0.109787D+02
      3  -0.140387D+01  0.721729D+01 -0.506413D+01 -0.267220D+01 -0.196257D+02
               276           277           278           279 
      1  -0.413197D+01 -0.157988D+01 -0.144336D+01  0.713704D+01
      2   0.136700D+02  0.248071D+01  0.144635D+02 -0.244479D+02
      3   0.131804D+02  0.291640D+01  0.146007D+02 -0.185723D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715842D+02  0.292766D+02  0.473227D+01 -0.877644D+02 -0.364580D+01
      2   0.357868D+02 -0.202359D+02 -0.296351D+01  0.346678D+02  0.151117D+02
      3   0.357975D+02 -0.904070D+01 -0.176876D+01  0.530966D+02 -0.114659D+02
      4  -0.129248D+01  0.214854D+02  0.736365D+00  0.113820D+02 -0.257982D+02
      5  -0.358116D+00 -0.177012D+01 -0.305744D+01 -0.409161D+01  0.175234D+01
      6   0.409837D+00 -0.188564D+01  0.956640D+00  0.216928D+01 -0.158069D+01
                 6             7             8             9            10 
      1   0.705177D+01  0.415960D+01 -0.189547D+01 -0.105597D+02  0.713249D+02
      2  -0.239453D+01 -0.256110D+01  0.210204D+01 -0.427115D+00 -0.192564D+02
      3  -0.465725D+01 -0.159851D+01 -0.206566D+00  0.109868D+02 -0.520685D+02
      4  -0.145370D+01  0.244260D+00 -0.201103D+01 -0.204662D+01  0.371869D+02
      5   0.367045D+01  0.687478D+00 -0.801205D+00  0.181981D+01  0.120944D+01
      6  -0.637652D+00  0.284926D+01  0.439155D+01 -0.100326D+01 -0.300373D+01
                11            12            13            14            15 
      1   0.243934D+02 -0.648770D+01  0.972188D+02 -0.243146D+02 -0.756484D+01
      2  -0.198640D+02  0.849079D+00 -0.375042D+02  0.155362D+02  0.324561D+01
      3  -0.452940D+01  0.563862D+01 -0.597145D+02  0.877839D+01  0.431923D+01
      4   0.177911D+02 -0.162653D+01 -0.285925D+02  0.190499D+02  0.219522D+01
      5  -0.175554D+01 -0.111140D+02  0.272256D+01 -0.105341D+00 -0.118077D+01
      6  -0.103516D-01  0.445611D+00 -0.730569D+00  0.203300D+01 -0.160799D+01
                16            17            18            19            20 
      1  -0.428769D+01 -0.241187D+01 -0.495178D+01  0.467002D+02 -0.340008D+02
      2  -0.208700D+00  0.163571D+01 -0.377675D+01 -0.180686D+02  0.216198D+02
      3   0.449639D+01  0.776165D+00  0.872852D+01 -0.286316D+02  0.123810D+02
      4  -0.352076D+01 -0.947010D+00  0.363419D+01 -0.957707D+01 -0.259369D+02
      5   0.288970D+01  0.174502D+01  0.236852D+01  0.347346D+01  0.165606D+01
      6   0.174984D+01  0.292600D+01  0.118285D+00 -0.876651D+00  0.535646D+01
                21            22            23            24            25 
      1  -0.667410D+01  0.114569D+02  0.193593D+02  0.257751D+01 -0.429805D+01
      2   0.310100D+01 -0.223256D+02 -0.243090D+02  0.181895D+00  0.859450D+00
      3   0.357310D+01  0.108686D+02  0.494976D+01 -0.275941D+01  0.343860D+01
      4   0.417155D+00  0.101748D+02 -0.101480D+01 -0.361971D+00  0.256143D+01
      5  -0.236876D+01 -0.212949D+01  0.133325D+00  0.685078D+01  0.924907D+01
      6  -0.669458D+00  0.555598D+00 -0.207740D+01  0.570464D+01  0.255330D+01
                26            27            28            29            30 
      1   0.774435D+01 -0.122742D+02  0.924922D+01 -0.480794D+01  0.277137D+01
      2  -0.302446D+01  0.251270D+00 -0.273291D+02  0.397010D+01 -0.134545D+00
      3  -0.471989D+01  0.120229D+02  0.180799D+02  0.837838D+00 -0.263682D+01
      4   0.208531D+01  0.623790D+01 -0.291600D+00  0.134813D+02  0.558986D+00
      5   0.842767D+01  0.270789D+01 -0.861117D+01  0.228945D+01  0.945540D+01
      6   0.130885D+02 -0.224630D+01  0.147358D+01 -0.232052D+01  0.212279D+01
                31            32            33            34            35 
      1   0.407009D+02 -0.498723D+02 -0.253001D+01  0.598352D+01 -0.237366D+01
      2  -0.297583D+02  0.432656D+02  0.242221D+01 -0.521177D+00  0.118326D+01
      3  -0.109427D+02  0.660672D+01  0.107800D+00 -0.546234D+01  0.119040D+01
      4  -0.322991D+02 -0.181997D+02  0.745312D+00 -0.245641D+01 -0.757231D+00
      5  -0.209630D+01  0.202682D+01 -0.180575D+01  0.298939D+02 -0.399418D+01
      6   0.111403D+01  0.542229D+01 -0.421043D+01  0.386411D+01  0.294545D+01
                36            37            38            39            40 
      1   0.395668D+00 -0.195457D+02  0.517978D+02  0.397225D+01 -0.386328D+02
      2  -0.113229D+02  0.102789D+02 -0.357988D+02 -0.142168D+01  0.388697D+02
      3   0.109272D+02  0.926687D+01 -0.159990D+02 -0.255057D+01 -0.236875D+00
      4  -0.573533D+00  0.279875D+02  0.580486D+01 -0.275150D+01  0.181683D+02
      5  -0.169200D+01  0.990435D+00 -0.481923D+01  0.317679D+01  0.322978D+01
      6  -0.712923D+00 -0.383009D+01 -0.401837D+01 -0.684082D+01 -0.108809D+01
                41            42            43            44            45 
      1   0.285883D+02  0.158933D+01  0.315016D+01 -0.604690D+01 -0.115284D+02
      2  -0.270244D+02 -0.293227D+01  0.242962D+01  0.174725D+01 -0.167624D+01
      3  -0.156393D+01  0.134294D+01 -0.557978D+01  0.429964D+01  0.132046D+02
      4   0.253235D+02  0.140345D+00 -0.395796D+01  0.100833D+01 -0.609056D+01
      5  -0.128217D+01 -0.703384D+01  0.137493D+02 -0.623754D+01 -0.205528D+01
      6  -0.407270D+01  0.234194D+01 -0.168468D+02  0.840019D+01  0.439657D+01
                46            47            48            49            50 
      1   0.290522D+02 -0.443189D+02 -0.575441D+01  0.783197D+01  0.125836D+02
      2  -0.217297D+02  0.298490D+02  0.234270D+01 -0.670460D+01 -0.207061D+02
      3  -0.732252D+01  0.144698D+02  0.341171D+01 -0.112737D+01  0.812251D+01
      4  -0.330773D+02 -0.160471D+02  0.228402D+01  0.187500D+02 -0.715816D+01
      5   0.232600D+01  0.276949D+01  0.106770D+01  0.450053D+00 -0.101840D+01
      6   0.250024D+01  0.585479D+01  0.561931D+01 -0.139860D+01 -0.601151D+00
                51            52            53            54            55 
      1  -0.444793D+00 -0.435363D+01  0.356142D+01 -0.184309D+02 -0.188815D+02
      2  -0.818627D+00  0.234552D+01 -0.504838D+01  0.733637D+01  0.130798D+01
      3   0.126342D+01  0.200811D+01  0.148695D+01  0.110945D+02  0.175735D+02
      4  -0.124209D+01  0.370825D+01  0.323709D+01  0.199789D+01  0.129232D+02
      5   0.146955D+00  0.402710D+01  0.571901D+00  0.240602D+01 -0.315984D+01
      6   0.641662D+01  0.476371D+01  0.183819D+02  0.844734D+00  0.121798D+01
                56            57            58            59            60 
      1  -0.367817D+02 -0.192921D+01  0.718401D+00  0.201932D+02  0.591761D+00
      2   0.326822D+02  0.153136D+01 -0.309091D+01 -0.252462D+02 -0.420708D+00
      3   0.409943D+01  0.397851D+00  0.237251D+01  0.505299D+01 -0.171053D+00
      4  -0.566408D+02 -0.211178D+01  0.143762D+02 -0.429729D+01 -0.129342D+00
      5   0.177579D+01 -0.658948D+01  0.699516D+00 -0.535915D+00 -0.586326D+01
      6   0.298166D+01  0.798641D+01 -0.559313D+00 -0.609267D+00  0.771545D+01
                61            62            63            64            65 
      1  -0.262104D+00  0.316364D+01 -0.250250D+02 -0.160547D+01 -0.371166D+01
      2   0.956086D+00 -0.361981D+01  0.122804D+02  0.559910D+01  0.615967D+01
      3  -0.693982D+00  0.456164D+00  0.127446D+02 -0.399362D+01 -0.244801D+01
      4  -0.142638D+01  0.728629D+01 -0.934425D+01  0.823053D+01  0.114791D+02
      5  -0.115756D+01 -0.137597D+02  0.286647D+01 -0.727318D+00 -0.692770D+00
      6   0.453783D+01  0.225292D+02 -0.146209D+01 -0.128415D+01 -0.135286D+01
                66            67            68            69            70 
      1   0.944098D-01 -0.785689D+01 -0.300732D+02  0.111251D+01 -0.646637D+00
      2  -0.269388D-01  0.119919D+02  0.396351D+02 -0.732283D+00  0.420364D+00
      3  -0.674710D-01 -0.413502D+01 -0.956192D+01 -0.380230D+00  0.226273D+00
      4  -0.415433D+00  0.126077D+02  0.216209D+02 -0.400025D+00 -0.332837D+00
      5   0.138155D+01 -0.527322D+00  0.352966D+00  0.229576D+01  0.681537D-01
      6   0.139469D+01 -0.157856D+01 -0.466530D+01  0.626246D+01  0.177530D+01
                71            72            73            74            75 
      1  -0.184006D+00 -0.311825D+01  0.777237D+01  0.158164D+01 -0.136635D+00
      2   0.213393D+00  0.384366D+01  0.682981D+00 -0.766661D+01  0.368125D+00
      3  -0.293870D-01 -0.725414D+00 -0.845535D+01  0.608496D+01 -0.231490D+00
      4  -0.428765D+00  0.111076D+01 -0.220009D+02  0.176898D+02  0.146924D+01
      5   0.155078D+00 -0.333837D+00 -0.515052D+01  0.190726D+01  0.466740D+01
      6   0.305101D+01 -0.370218D+00  0.275285D+01 -0.233723D+01 -0.278078D+01
                76            77            78            79            80 
      1   0.492819D+01 -0.125251D+02 -0.156146D+01 -0.938721D+00 -0.520594D+00
      2  -0.130894D+02  0.217613D+02  0.117754D+01  0.188131D+00  0.591508D+00
      3   0.816125D+01 -0.923615D+01  0.383918D+00  0.750590D+00 -0.709141D-01
      4   0.230449D+02 -0.251029D+02 -0.205240D+01  0.156442D+01 -0.122561D+01
      5   0.266944D+01 -0.240582D+01 -0.350307D+01  0.131441D+01 -0.178205D+01
      6  -0.369594D+01  0.464690D+01  0.498079D+01  0.295370D+00  0.255542D+01
                81            82            83            84            85 
      1   0.294625D+00 -0.382994D+01 -0.762527D+01  0.236018D+00 -0.593412D+01
      2   0.911716D+00  0.659324D+01  0.110081D+02 -0.203091D+00  0.766748D+01
      3  -0.120634D+01 -0.276330D+01 -0.338278D+01 -0.329264D-01 -0.173336D+01
      4  -0.280392D+01  0.486068D+01  0.120338D+02  0.231743D+00  0.765005D+01
      5  -0.701510D+00  0.876684D+00  0.124209D+01  0.188792D+01  0.784664D+00
      6   0.576913D+00  0.649527D+00  0.465482D+00  0.174515D+01  0.846683D+00
                86            87            88            89            90 
      1  -0.459704D+02 -0.938648D+00  0.626736D+00 -0.114948D+00 -0.237754D+01
      2   0.606063D+02  0.466379D+00 -0.431241D+00 -0.432860D-01  0.296892D+01
      3  -0.146359D+02  0.472269D+00 -0.195495D+00  0.158234D+00 -0.591385D+00
      4   0.144295D+02  0.381251D+00 -0.172369D+00 -0.578832D+00  0.215942D+01
      5   0.290654D+01  0.123988D+01  0.993438D+00  0.163404D+01  0.574758D-02
      6   0.461245D+01  0.737925D+01 -0.180991D+00  0.411256D+01  0.212295D+00
                91            92            93            94            95 
      1  -0.654557D+01  0.781365D+01 -0.925014D+01  0.111335D+02  0.914383D+01
      2   0.151193D+02 -0.791798D+01 -0.529508D+00 -0.134433D+02 -0.172160D+02
      3  -0.857373D+01  0.104329D+00  0.977965D+01  0.230984D+01  0.807215D+01
      4   0.913329D+01 -0.237649D+01 -0.241309D+00 -0.537839D+01 -0.415375D+02
      5  -0.113223D+01 -0.178579D+01 -0.242621D+02 -0.111246D+02  0.151713D+00
      6  -0.237569D+01  0.188196D+01  0.438510D+00  0.232214D+00  0.595651D+01
                96            97            98            99           100 
      1  -0.473403D+01 -0.422153D+01 -0.256067D+00 -0.254433D+02 -0.670826D+02
      2   0.745898D+01 -0.560798D+01  0.496127D+00  0.207040D+02  0.359726D+02
      3  -0.272495D+01  0.982952D+01 -0.240060D+00  0.473935D+01  0.311100D+02
      4  -0.721001D-01 -0.268722D+01 -0.206896D+01  0.844527D+01 -0.232877D+02
      5   0.854923D+01 -0.577798D+02  0.975144D+01  0.517124D+01  0.322604D+02
      6   0.116060D+01  0.120962D+01  0.101915D+01 -0.326352D+01  0.105990D+02
               101           102           103           104           105 
      1  -0.179663D+02  0.284742D+02 -0.290531D+02  0.110592D+02 -0.599508D+01
      2   0.726116D+01 -0.154821D+01  0.203018D+02 -0.738773D+01 -0.100964D+02
      3   0.107051D+02 -0.269260D+02  0.875128D+01 -0.367150D+01  0.160915D+02
      4   0.464538D+01 -0.319676D+00  0.227842D+01  0.370297D+02  0.100400D+02
      5   0.415878D+01  0.182599D+02  0.152592D+02  0.657739D+01 -0.180369D+02
      6  -0.295248D+01  0.213283D+01 -0.137594D+01 -0.179856D+02 -0.651145D+01
               106           107           108           109           110 
      1   0.371108D+01 -0.746245D+01  0.342501D+02 -0.879339D+02  0.174638D+02
      2   0.152123D+02 -0.521314D+01 -0.145492D+02  0.366502D+02 -0.180360D+01
      3  -0.189234D+02  0.126756D+02 -0.197009D+02  0.512837D+02 -0.156601D+02
      4   0.208104D+01  0.726255D+01 -0.160437D+02  0.288714D+02 -0.205221D+02
      5   0.399135D+02 -0.145866D+02 -0.159952D+02 -0.931789D+01  0.540049D+01
      6  -0.135638D+01 -0.407424D+01  0.137053D+02  0.555163D+01 -0.156081D+01
               111           112           113           114           115 
      1  -0.195035D+01  0.281077D+02 -0.127256D+02  0.158411D+01  0.209469D+02
      2   0.626525D+00 -0.683626D+01  0.884333D+01 -0.107251D+01 -0.138169D+02
      3   0.132382D+01 -0.212714D+02  0.388231D+01 -0.511602D+00 -0.713005D+01
      4   0.253246D+01 -0.432513D+01  0.205607D+02  0.206134D+01  0.422446D-01
      5  -0.472121D+01  0.978126D+01  0.721446D-01  0.218526D+01  0.230226D+02
      6   0.328743D+01 -0.190853D+01  0.290816D+01  0.782246D+00 -0.333595D+01
               116           117           118           119           120 
      1   0.116868D+01  0.226870D+02 -0.406892D+01  0.706392D+01  0.176197D+01
      2   0.322563D+00 -0.479852D+01  0.760236D+01 -0.173333D+01 -0.724238D+00
      3  -0.149124D+01 -0.178885D+02 -0.353345D+01 -0.533059D+01 -0.103774D+01
      4   0.359683D+01 -0.485449D+01  0.126733D+02  0.107793D+02 -0.954057D+00
      5  -0.521401D+01  0.834117D+01  0.973953D+00 -0.138029D+01  0.744299D+01
      6  -0.354437D+01 -0.212926D+01 -0.140362D+01 -0.944992D+00  0.164867D+00
               121           122           123           124           125 
      1   0.100774D+02 -0.127802D+02  0.263482D+01  0.285028D+01 -0.106038D+00
      2  -0.165634D+00  0.271452D+02 -0.139276D+01 -0.141363D+01  0.179283D+01
      3  -0.991179D+01 -0.143650D+02 -0.124206D+01 -0.143665D+01 -0.168680D+01
      4   0.183288D+02  0.497069D+02 -0.178351D+01 -0.433411D-01  0.398917D+00
      5  -0.372338D+00 -0.164783D+01  0.993210D+01  0.983532D+01  0.582765D+01
      6  -0.162174D+01 -0.653938D+01  0.458075D+01  0.156757D+01  0.547091D+01
               126           127           128           129           130 
      1   0.123553D+01  0.108723D+03  0.114297D+02 -0.188176D+02  0.200016D+02
      2  -0.161696D+00 -0.638131D+02 -0.538332D+01  0.162296D+02 -0.109023D+02
      3  -0.107384D+01 -0.449101D+02 -0.604639D+01  0.258793D+01 -0.909931D+01
      4   0.629214D+01  0.171540D+02  0.138749D+02 -0.284799D+01  0.190202D+02
      5  -0.151762D+01 -0.578851D+02 -0.494242D+01  0.260324D+02 -0.123992D+02
      6  -0.844652D+00 -0.712256D+01 -0.528298D+01  0.141434D+01 -0.684092D+01
               131           132           133           134           135 
      1   0.104801D+02 -0.209647D+01 -0.741425D+01  0.417530D+00  0.800253D+01
      2  -0.447833D+01  0.401476D+01  0.800249D+01  0.158399D+01 -0.745758D+01
      3  -0.600174D+01 -0.191830D+01 -0.588247D+00 -0.200152D+01 -0.544949D+00
      4   0.376405D+01 -0.515146D+01 -0.141015D+01 -0.188556D+01  0.447423D+01
      5  -0.719873D+01  0.836381D+01  0.169038D+02  0.416451D+01 -0.843072D+01
      6  -0.806350D+00  0.340175D+01  0.161246D+01  0.154107D+01 -0.224354D+01
               136           137           138           139           140 
      1  -0.611324D+01  0.741336D+01 -0.215822D+02  0.802273D+01 -0.106764D+02
      2  -0.952083D+00 -0.197921D+01 -0.992590D+00 -0.490625D+01  0.198990D+01
      3   0.706532D+01 -0.543415D+01  0.225748D+02 -0.311649D+01  0.868651D+01
      4   0.413807D+01 -0.376262D+01  0.253369D+01  0.868043D+00  0.484039D+01
      5  -0.180067D+01 -0.272865D+00 -0.996455D+01 -0.576999D+01 -0.809078D+01
      6  -0.363885D+01  0.443890D+01 -0.398444D+01  0.480731D+00 -0.642284D+01
               141           142           143           144           145 
      1   0.121773D+02 -0.946645D+01  0.853113D+01 -0.380696D+02  0.642251D+01
      2   0.350630D+01  0.280955D+01  0.225449D+01 -0.124490D+02 -0.148099D+01
      3  -0.156836D+02  0.665690D+01 -0.107856D+02  0.505186D+02 -0.494151D+01
      4  -0.110856D+02 -0.645944D+00 -0.866360D+01  0.120982D+02 -0.580780D+01
      5   0.160308D+02  0.415905D+01  0.908703D+01 -0.371712D+02 -0.388271D+01
      6   0.120392D+02 -0.196593D+00  0.915216D+01 -0.124369D+02  0.292366D+01
               146           147           148           149           150 
      1  -0.595777D+01 -0.517740D+01 -0.110278D+02 -0.103231D+02 -0.290268D+01
      2   0.325701D+01  0.389154D+00  0.702778D+01  0.137085D+02 -0.234122D+01
      3   0.270075D+01  0.478825D+01  0.400006D+01 -0.338539D+01  0.524390D+01
      4   0.323141D+01  0.105401D+01  0.106202D+02 -0.472928D+02 -0.127947D+02
      5   0.282908D+01 -0.136540D+01  0.117147D+02 -0.117855D+02 -0.148972D+02
      6  -0.668377D-01 -0.906800D-01 -0.403488D+01  0.262656D+02  0.110014D+02
               151           152           153           154           155 
      1  -0.221719D+00 -0.231722D+01 -0.726961D+01  0.186773D+03 -0.295352D+02
      2  -0.110985D+01 -0.707394D+00  0.167678D+01 -0.868381D+02  0.899925D+01
      3   0.133157D+01  0.302462D+01  0.559283D+01 -0.999345D+02  0.205360D+02
      4   0.210370D+01 -0.558716D+01 -0.623419D+01 -0.405756D+02  0.384831D+02
      5  -0.518162D+00 -0.617937D+01 -0.310772D+01  0.300167D+02 -0.550814D+01
      6  -0.154660D+01  0.756080D+01  0.416873D+01 -0.489204D+01  0.469559D+01
               156           157           158           159           160 
      1   0.398302D+01 -0.401623D+02  0.340902D+02 -0.223042D+00  0.689504D+01
      2  -0.703750D+01  0.132180D+02 -0.859463D+01  0.157922D+01 -0.776076D+01
      3   0.305448D+01  0.269442D+02 -0.254956D+02 -0.135618D+01  0.865723D+00
      4  -0.193940D+01  0.523780D+02 -0.370907D+02  0.215509D+01 -0.304285D+01
      5   0.357601D+02 -0.856688D+01  0.690773D+01 -0.120668D+02  0.354822D+02
      6  -0.196074D+01  0.886585D+01 -0.636588D+01  0.561024D+01 -0.402944D+01
               161           162           163           164           165 
      1  -0.707241D+00  0.206079D+02  0.420591D+02 -0.808761D+01  0.142320D+02
      2   0.109861D+01 -0.138895D+02 -0.302245D+02  0.326381D+01 -0.916319D+01
      3  -0.391370D+00 -0.671839D+01 -0.118346D+02  0.482380D+01 -0.506882D+01
      4   0.764434D+00 -0.828342D+01 -0.781532D+01  0.804261D+01  0.133090D+01
      5  -0.912583D+01  0.517569D+01  0.296017D+02 -0.806732D+00  0.183434D+02
      6   0.527075D+01 -0.199271D+01 -0.347197D+01  0.149624D+01  0.534844D+00
               166           167           168           169           170 
      1  -0.153821D+02 -0.666579D+01  0.182219D+00 -0.882637D+00 -0.483267D-01
      2   0.832519D+01  0.171074D+01  0.619055D+00 -0.310564D+01 -0.464572D+00
      3   0.705694D+01  0.495505D+01 -0.801273D+00  0.398827D+01  0.512899D+00
      4   0.591496D+01  0.165592D+01  0.106835D+02  0.318367D+01  0.452447D+01
      5  -0.673091D+01  0.107901D+02 -0.283930D+01  0.159566D+02  0.295653D+01
      6   0.129478D+01  0.846895D+00  0.117575D+02  0.243908D+01  0.108123D+02
               171           172           173           174           175 
      1  -0.307530D+02 -0.441660D+02  0.716093D+01  0.548883D+01  0.136900D+02
      2  -0.138776D+02  0.276524D+02 -0.364143D+01  0.493182D+01 -0.877932D+01
      3   0.446306D+02  0.165136D+02 -0.351951D+01 -0.104206D+02 -0.491063D+01
      4   0.521780D+01  0.623905D+01 -0.474070D+01 -0.915198D+00 -0.997481D+00
      5   0.436232D+02 -0.232920D+02  0.144478D+01 -0.136001D+02  0.609682D+01
      6   0.365084D+01  0.315520D+01 -0.366916D+01 -0.153662D+01 -0.102295D+01
               176           177           178           179           180 
      1  -0.622096D+01 -0.183256D+01 -0.850111D+01  0.327935D+00 -0.874105D+01
      2   0.387236D+01 -0.902315D+00  0.107673D+02 -0.610041D+00  0.461637D+01
      3   0.234859D+01  0.273487D+01 -0.226618D+01  0.282106D+00  0.412468D+01
      4   0.222866D+01  0.302925D+01  0.199555D+01  0.333907D-01  0.112822D+01
      5   0.172002D+01  0.465378D+01 -0.108332D+02  0.103098D+01 -0.306519D+01
      6   0.228909D+01  0.330466D+01 -0.662281D+00  0.111224D+01  0.865520D+00
               181           182           183           184           185 
      1   0.261780D+02  0.528391D+02  0.709309D+00 -0.418688D+02  0.211830D+02
      2  -0.129716D+02 -0.424299D+02 -0.516682D+00  0.336335D+02 -0.257757D+02
      3  -0.132064D+02 -0.104092D+02 -0.192627D+00  0.823530D+01  0.459270D+01
      4   0.956398D+01  0.372124D+02 -0.296518D+01  0.667685D+00  0.420953D+02
      5   0.543795D+01 -0.570991D+01  0.119840D+02  0.102116D+01  0.797854D+00
      6  -0.379329D+01  0.170373D+01 -0.873113D+01  0.116937D+01 -0.170185D+01
               186           187           188           189           190 
      1   0.244224D+01  0.147254D+01 -0.623019D+01  0.433103D+01  0.141705D+03
      2  -0.252299D+01  0.901279D+00  0.338041D+01 -0.773089D+01 -0.712983D+02
      3   0.807561D-01 -0.237382D+01  0.284978D+01  0.339986D+01 -0.704064D+02
      4   0.160085D+01 -0.515111D+01 -0.417422D+00 -0.216512D+02  0.122312D+02
      5  -0.736470D+01  0.326591D+02 -0.172442D+02 -0.305144D+01  0.123509D+01
      6   0.301820D+01 -0.225935D+02  0.125771D+02  0.330831D+01 -0.185787D+01
               191           192           193           194           195 
      1  -0.167665D+01 -0.862178D+01 -0.314363D+02 -0.431347D+02  0.675313D+00
      2  -0.964275D+01  0.261432D+01  0.244438D+01  0.465669D+02  0.146785D+01
      3   0.113194D+02  0.600746D+01  0.289919D+02 -0.343217D+01 -0.214316D+01
      4   0.212654D+02 -0.650469D+00 -0.398114D+02 -0.660515D+02  0.132151D+01
      5   0.522819D+00  0.493846D+01 -0.205225D+01  0.129436D+01 -0.144412D+01
      6   0.967282D+00 -0.245911D+01  0.267772D+01  0.850078D+00 -0.636917D+01
               196           197           198           199           200 
      1  -0.476977D+01 -0.207397D+01  0.229593D+02 -0.110136D+03 -0.248906D+02
      2   0.235828D+01  0.236670D+01 -0.206409D+02  0.382894D+02  0.260792D+02
      3   0.241149D+01 -0.292733D+00 -0.231838D+01  0.718463D+02 -0.118859D+01
      4  -0.342630D+01 -0.277122D+01 -0.107234D+01 -0.347944D+02 -0.369624D+02
      5   0.472653D+02 -0.552525D+01 -0.381919D+01  0.123552D+01  0.345149D+01
      6  -0.144825D+01  0.321118D+01 -0.287328D+00  0.395951D+01  0.104075D+01
               201           202           203           204           205 
      1   0.673771D+01  0.792144D+02  0.144043D+02 -0.416552D+01  0.961753D+01
      2  -0.238061D+01 -0.468884D+02 -0.227653D+02  0.218142D+01 -0.416286D+01
      3  -0.435710D+01 -0.323260D+02  0.836105D+01  0.198410D+01 -0.545466D+01
      4   0.308170D+01  0.239627D+02  0.191446D+02 -0.160801D+01  0.513656D+01
      5   0.560452D+01 -0.163044D+01 -0.741083D+00  0.113148D+02  0.103867D+01
      6  -0.172678D+00 -0.188040D+01 -0.613720D+00  0.649411D+01  0.164427D+01
               206           207           208           209           210 
      1   0.514038D+01 -0.172495D+02  0.172797D+02 -0.612086D+01  0.174049D+01
      2  -0.413667D+01 -0.121484D+01 -0.133126D+02  0.540659D+01  0.923037D+00
      3  -0.100371D+01  0.184643D+02 -0.396709D+01  0.714266D+00 -0.266353D+01
      4   0.346962D+01  0.162024D+02 -0.174586D+02  0.113250D+02  0.763824D+00
      5   0.205548D+02  0.325755D+01 -0.231770D+01 -0.142418D+00  0.196382D+02
      6   0.107296D+02 -0.193538D+00  0.998151D+00 -0.136395D+01  0.300845D+01
               211           212           213           214           215 
      1  -0.213475D+02  0.440509D+01  0.366302D+01  0.693557D+00 -0.159714D+00
      2   0.121357D+02 -0.258057D+01 -0.174215D+01  0.106730D+01 -0.508336D+00
      3   0.921179D+01 -0.182453D+01 -0.192087D+01 -0.176086D+01  0.668051D+00
      4   0.242138D+02 -0.186142D+02 -0.143639D+01  0.111946D+01 -0.756768D+00
      5   0.283202D+01 -0.474672D+00  0.132681D+02  0.144419D+02 -0.496696D+01
      6  -0.338470D+00  0.338219D+00  0.115555D+02 -0.123390D+01  0.405834D+01
               216           217           218           219           220 
      1   0.514166D+01 -0.979412D+02 -0.345661D+01  0.129432D+02  0.177051D+02
      2  -0.410601D+01  0.545461D+02  0.487604D+01 -0.699013D+01 -0.642896D+01
      3  -0.103565D+01  0.433951D+02 -0.141943D+01 -0.595308D+01 -0.112762D+02
      4  -0.594658D+01 -0.144333D+01  0.204044D+02 -0.249664D+01  0.988557D+00
      5  -0.323008D+01  0.114450D+02 -0.312367D+01  0.174733D+02 -0.616581D+01
      6   0.454612D+00  0.787174D+00 -0.230211D+01  0.716692D+01 -0.197890D+01
               221           222           223           224           225 
      1   0.183761D+02 -0.997346D+01  0.108299D+02 -0.588269D+01  0.257106D+02
      2  -0.951134D+01  0.335672D+01 -0.614106D+01  0.194863D+01 -0.188667D+02
      3  -0.886479D+01  0.661674D+01 -0.468880D+01  0.393406D+01 -0.684388D+01
      4   0.972359D+00 -0.135924D+00 -0.374695D+01 -0.161867D+01 -0.358433D+02
      5  -0.118118D+00 -0.593784D+02 -0.332257D+01 -0.392556D+02 -0.730989D+01
      6   0.115819D+01 -0.245195D+02 -0.560005D+01 -0.178908D+02  0.102704D-01
               226           227           228           229           230 
      1  -0.717843D+01 -0.153576D+02  0.391855D+00 -0.544865D+01 -0.563588D+02
      2   0.842077D+01  0.166664D+02 -0.176751D+00  0.546425D+01  0.742678D+02
      3  -0.124234D+01 -0.130873D+01 -0.215104D+00 -0.155976D-01 -0.179090D+02
      4   0.591830D+00  0.486617D+01  0.213845D+00  0.348688D+01 -0.226203D+02
      5   0.372888D+00  0.623765D+00  0.856288D+00  0.558314D-01  0.207806D+01
      6  -0.306398D+00 -0.708175D+00  0.205511D+01  0.195611D+00 -0.964415D+00
               231           232           233           234           235 
      1  -0.650419D+00  0.633806D+00  0.134174D+00 -0.184424D+01  0.368805D+02
      2   0.723845D+00 -0.383639D+00  0.169716D+00  0.299586D+01 -0.747339D+01
      3  -0.734259D-01 -0.250167D+00 -0.303890D+00 -0.115162D+01 -0.294072D+02
      4   0.175942D-01 -0.533938D-01 -0.574312D+00  0.453182D+00 -0.516740D+02
      5  -0.243049D+01  0.209873D+01 -0.137596D+00 -0.225247D+00 -0.320917D+01
      6   0.814030D+01 -0.803024D+00  0.444764D+01  0.962749D-01  0.248082D+01
               236           237           238           239           240 
      1  -0.184330D+02 -0.239501D+01 -0.166836D+02  0.911043D+01  0.683326D+00
      2  -0.184833D+01  0.673058D+00 -0.788144D+01  0.160276D+02  0.881084D+00
      3   0.202814D+02  0.172195D+01  0.245650D+02 -0.251380D+02 -0.156441D+01
      4   0.415332D+02  0.404383D+01  0.497432D+02 -0.543221D+02 -0.426957D+01
      5   0.193340D+01  0.716512D+01  0.200075D+01 -0.186422D+01 -0.681538D+01
      6  -0.185986D+01 -0.419901D+01 -0.218975D+01  0.267492D+01  0.573359D+01
               241           242           243           244           245 
      1  -0.323441D+01  0.124533D+01  0.376364D+00  0.626708D+01  0.993143D+01
      2   0.647225D+00  0.394897D+00  0.117745D+01 -0.682104D+00 -0.285213D+01
      3   0.258718D+01 -0.164022D+01 -0.155381D+01 -0.558498D+01 -0.707930D+01
      4   0.499138D+01 -0.410149D+01 -0.502639D+01  0.154790D+02  0.132976D+02
      5   0.129249D+01 -0.387100D+01 -0.122813D+01  0.287432D-01 -0.322649D+00
      6  -0.352963D+00  0.342616D+01  0.796875D+00 -0.332948D-01 -0.370725D+00
               246           247           248           249           250 
      1  -0.165336D+00  0.105349D+02 -0.641336D+01 -0.469056D+00 -0.206203D+00
      2   0.988237D-01  0.118300D+01  0.193890D+02 -0.686117D-01  0.114664D+00
      3   0.665119D-01 -0.117179D+02 -0.129756D+02  0.537667D+00  0.915388D-01
      4  -0.799330D+00  0.247249D+02  0.409934D+02 -0.565527D+00 -0.482546D+00
      5   0.131991D+01  0.298328D+00  0.145284D+01  0.431880D+01  0.772700D+00
      6   0.464099D+00 -0.250631D-01  0.139595D+00  0.463146D+01  0.206513D+01
               251           252           253           254           255 
      1  -0.104430D+01 -0.131579D+01  0.493067D+01  0.506460D+01  0.993962D+01
      2   0.586955D+00  0.235825D+01 -0.236780D+01 -0.394420D+01 -0.470916D+01
      3   0.457342D+00 -0.104246D+01 -0.256288D+01 -0.112040D+01 -0.523047D+01
      4  -0.431468D-01  0.605294D+00  0.858074D+00 -0.287997D+01  0.251407D+01
      5  -0.320418D+00  0.497977D-01  0.803073D+01  0.879492D+00 -0.649677D+01
      6   0.179617D+01  0.432089D-01  0.294413D+01 -0.293202D+00 -0.383993D+01
               256           257           258           259           260 
      1   0.463444D+01 -0.220805D+01 -0.111504D+01  0.242272D+02  0.431694D+01
      2   0.864556D+00  0.902201D+01  0.544054D+01 -0.109184D+02  0.226885D+01
      3  -0.549900D+01 -0.681396D+01 -0.432550D+01 -0.133088D+02 -0.658578D+01
      4   0.182422D+02  0.284454D+02  0.194151D+02  0.231784D+02  0.256803D+02
      5   0.110511D+02  0.204391D+02  0.250902D+02  0.202211D+02  0.268890D+02
      6   0.471789D+01  0.988354D+01  0.123747D+02  0.809762D+01  0.131180D+02
               261           262           263           264           265 
      1  -0.717773D+01  0.200200D+03  0.129527D+02 -0.126221D+02 -0.105232D+02
      2   0.191708D+01 -0.103579D+03 -0.387194D+01  0.739216D+01  0.888175D+01
      3   0.526066D+01 -0.966207D+02 -0.908079D+01  0.522996D+01  0.164144D+01
      4   0.247366D+02  0.361743D+02  0.184322D+02 -0.215743D+01  0.179897D+02
      5   0.509340D+02 -0.149112D+02 -0.824306D+00  0.174553D+02  0.876579D+00
      6   0.184569D+02 -0.216520D+01 -0.772273D+00  0.280336D+01 -0.706621D+00
               266           267           268           269           270 
      1   0.160456D+02  0.131946D+01 -0.125752D+02 -0.142223D+00  0.155846D+02
      2  -0.799640D+01 -0.100578D+01  0.767133D+01 -0.670100D-01 -0.879512D+01
      3  -0.804918D+01 -0.313678D+00  0.490388D+01  0.209233D+00 -0.678948D+01
      4  -0.587584D+00 -0.156570D+01 -0.219738D+01 -0.165899D+01  0.605562D+01
      5  -0.180726D+01  0.107682D+01  0.230950D+02  0.494059D+01 -0.421712D+01
      6  -0.163692D+00  0.193604D+01  0.346042D+01  0.279330D+01 -0.734540D+00
               271           272           273           274           275 
      1  -0.418252D+01  0.492359D+01 -0.138515D+02  0.295580D+01 -0.841845D+01
      2   0.151459D+01 -0.467378D+01  0.605105D+01  0.405737D+00  0.117415D+02
      3   0.266793D+01 -0.249802D+00  0.780048D+01 -0.336154D+01 -0.332304D+01
      4  -0.391671D+01 -0.733219D+01  0.148170D+01  0.148632D+02  0.291100D+02
      5  -0.666443D+01  0.302823D+01 -0.113760D+02 -0.788658D+01 -0.203774D+02
      6  -0.234788D+01  0.318969D+01 -0.647599D+01 -0.424979D+01 -0.127995D+02
               276           277           278           279 
      1   0.754202D+01 -0.209143D+02  0.285596D+01 -0.147772D+02
      2  -0.753944D+01  0.999556D+01 -0.406526D+01  0.337274D+01
      3  -0.258285D-02  0.109187D+02  0.120930D+01  0.114045D+02
      4  -0.205837D+02 -0.171565D+02 -0.232517D+02  0.249653D+02
      5   0.256725D+02  0.156220D+02  0.265486D+02 -0.444809D+02
      6   0.145275D+02  0.698503D+01  0.149877D+02 -0.197293D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 13:35:57 2021, MaxMem=  5368709120 cpu:           73637.4 elap:            9207.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50780 -19.50774 -19.45258 -10.57998 -10.52128
 Alpha  occ. eigenvalues --  -10.50508 -10.47480 -10.47126 -10.47052 -10.46552
 Alpha  occ. eigenvalues --  -10.46408 -10.46321 -10.46116 -10.46039 -10.45765
 Alpha  occ. eigenvalues --  -10.45503 -10.43885  -1.23497  -1.21071  -1.14462
 Alpha  occ. eigenvalues --   -1.03480  -0.98857  -0.94279  -0.92117  -0.89092
 Alpha  occ. eigenvalues --   -0.86849  -0.83928  -0.79177  -0.76679  -0.74485
 Alpha  occ. eigenvalues --   -0.74214  -0.72503  -0.67149  -0.66173  -0.65564
 Alpha  occ. eigenvalues --   -0.62319  -0.61005  -0.60275  -0.59695  -0.58035
 Alpha  occ. eigenvalues --   -0.57789  -0.56578  -0.55401  -0.54437  -0.54146
 Alpha  occ. eigenvalues --   -0.53515  -0.53082  -0.51226  -0.50417  -0.48887
 Alpha  occ. eigenvalues --   -0.47787  -0.47711  -0.47201  -0.45573  -0.44441
 Alpha  occ. eigenvalues --   -0.43921  -0.42937  -0.40968  -0.38891  -0.34101
 Alpha  occ. eigenvalues --   -0.31581
 Alpha virt. eigenvalues --    0.01066   0.03246   0.03782   0.03941   0.05079
 Alpha virt. eigenvalues --    0.06027   0.06454   0.07126   0.07903   0.08241
 Alpha virt. eigenvalues --    0.08487   0.08868   0.09942   0.10162   0.10452
 Alpha virt. eigenvalues --    0.11824   0.12782   0.12966   0.13327   0.13702
 Alpha virt. eigenvalues --    0.15058   0.15357   0.15524   0.16416   0.16775
 Alpha virt. eigenvalues --    0.16918   0.17776   0.19085   0.19245   0.19683
 Alpha virt. eigenvalues --    0.19908   0.20398   0.20475   0.20803   0.21712
 Alpha virt. eigenvalues --    0.22324   0.22919   0.23766   0.23920   0.24315
 Alpha virt. eigenvalues --    0.24755   0.25848   0.26133   0.26442   0.26783
 Alpha virt. eigenvalues --    0.27386   0.27461   0.28499   0.28960   0.29604
 Alpha virt. eigenvalues --    0.30167   0.30850   0.31015   0.31286   0.31832
 Alpha virt. eigenvalues --    0.32225   0.32353   0.32955   0.33091   0.33402
 Alpha virt. eigenvalues --    0.33978   0.34329   0.34677   0.34931   0.35321
 Alpha virt. eigenvalues --    0.35797   0.36026   0.36458   0.36695   0.36848
 Alpha virt. eigenvalues --    0.37000   0.38409   0.38656   0.38992   0.39145
 Alpha virt. eigenvalues --    0.39433   0.39549   0.39819   0.40426   0.40682
 Alpha virt. eigenvalues --    0.40990   0.41310   0.41485   0.41760   0.42062
 Alpha virt. eigenvalues --    0.42289   0.42400   0.43142   0.43230   0.43607
 Alpha virt. eigenvalues --    0.43865   0.44746   0.44954   0.45216   0.45628
 Alpha virt. eigenvalues --    0.46106   0.46218   0.46628   0.46884   0.47257
 Alpha virt. eigenvalues --    0.47598   0.48048   0.48338   0.49122   0.49591
 Alpha virt. eigenvalues --    0.49943   0.50357   0.50917   0.51466   0.51831
 Alpha virt. eigenvalues --    0.52131   0.52244   0.52520   0.53074   0.53422
 Alpha virt. eigenvalues --    0.53708   0.54191   0.54938   0.55222   0.55774
 Alpha virt. eigenvalues --    0.56312   0.56531   0.57039   0.57454   0.57808
 Alpha virt. eigenvalues --    0.58682   0.58808   0.59457   0.59740   0.60418
 Alpha virt. eigenvalues --    0.60953   0.61484   0.61627   0.62395   0.62953
 Alpha virt. eigenvalues --    0.63275   0.64000   0.64362   0.64884   0.65405
 Alpha virt. eigenvalues --    0.65907   0.66420   0.66715   0.67325   0.67737
 Alpha virt. eigenvalues --    0.68470   0.68789   0.70022   0.70500   0.70688
 Alpha virt. eigenvalues --    0.71193   0.71598   0.72602   0.73120   0.73261
 Alpha virt. eigenvalues --    0.73961   0.74142   0.74851   0.75628   0.76305
 Alpha virt. eigenvalues --    0.76497   0.76797   0.77326   0.77380   0.77807
 Alpha virt. eigenvalues --    0.78679   0.79179   0.80173   0.80540   0.81351
 Alpha virt. eigenvalues --    0.81721   0.82683   0.83394   0.84096   0.84812
 Alpha virt. eigenvalues --    0.86267   0.86782   0.86943   0.88279   0.89022
 Alpha virt. eigenvalues --    0.89260   0.90326   0.90663   0.91077   0.91862
 Alpha virt. eigenvalues --    0.93014   0.94405   0.95145   0.95620   0.96295
 Alpha virt. eigenvalues --    0.98496   0.98995   0.99519   1.00407   1.01877
 Alpha virt. eigenvalues --    1.02902   1.03645   1.04391   1.05144   1.05955
 Alpha virt. eigenvalues --    1.06740   1.07083   1.07448   1.07917   1.08199
 Alpha virt. eigenvalues --    1.08709   1.10099   1.10319   1.10428   1.11171
 Alpha virt. eigenvalues --    1.11501   1.12863   1.13696   1.15611   1.16414
 Alpha virt. eigenvalues --    1.17294   1.17549   1.19138   1.20282   1.20583
 Alpha virt. eigenvalues --    1.21354   1.23251   1.24121   1.24839   1.25045
 Alpha virt. eigenvalues --    1.25972   1.27083   1.27937   1.28755   1.29555
 Alpha virt. eigenvalues --    1.31064   1.31893   1.32130   1.33009   1.34067
 Alpha virt. eigenvalues --    1.34899   1.36155   1.36825   1.37607   1.39208
 Alpha virt. eigenvalues --    1.39801   1.40020   1.41635   1.42601   1.43104
 Alpha virt. eigenvalues --    1.46415   1.46534   1.47474   1.51275   1.52475
 Alpha virt. eigenvalues --    1.52758   1.54661   1.54956   1.55865   1.58122
 Alpha virt. eigenvalues --    1.58679   1.59757   1.60488   1.61544   1.62964
 Alpha virt. eigenvalues --    1.66252   1.66909   1.67043   1.68385   1.69610
 Alpha virt. eigenvalues --    1.70177   1.71372   1.72832   1.73630   1.75391
 Alpha virt. eigenvalues --    1.75988   1.76659   1.76952   1.77824   1.79792
 Alpha virt. eigenvalues --    1.80302   1.82063   1.82195   1.83099   1.83572
 Alpha virt. eigenvalues --    1.84481   1.87368   1.87797   1.88963   1.89706
 Alpha virt. eigenvalues --    1.91770   1.92107   1.94288   1.94678   1.96073
 Alpha virt. eigenvalues --    1.96368   1.97467   1.97834   1.98395   1.99227
 Alpha virt. eigenvalues --    2.00137   2.00517   2.01481   2.03788   2.04936
 Alpha virt. eigenvalues --    2.06049   2.06854   2.07940   2.08421   2.09454
 Alpha virt. eigenvalues --    2.10208   2.11308   2.12119   2.12814   2.13100
 Alpha virt. eigenvalues --    2.14193   2.14499   2.15545   2.15800   2.17145
 Alpha virt. eigenvalues --    2.18662   2.19549   2.20162   2.21657   2.22212
 Alpha virt. eigenvalues --    2.22739   2.24831   2.27084   2.28887   2.29452
 Alpha virt. eigenvalues --    2.30994   2.32804   2.33495   2.34547   2.35725
 Alpha virt. eigenvalues --    2.37987   2.39568   2.39822   2.40006   2.41817
 Alpha virt. eigenvalues --    2.42684   2.44141   2.46464   2.46849   2.49311
 Alpha virt. eigenvalues --    2.49993   2.51129   2.53563   2.53674   2.54282
 Alpha virt. eigenvalues --    2.54737   2.58276   2.60310   2.60729   2.61435
 Alpha virt. eigenvalues --    2.62615   2.63692   2.64496   2.65931   2.66879
 Alpha virt. eigenvalues --    2.71355   2.73745   2.74914   2.78238   2.78874
 Alpha virt. eigenvalues --    2.84525   2.86046   2.89757   2.92610   2.94780
 Alpha virt. eigenvalues --    2.97290   2.98653   2.99594   2.99922   3.01301
 Alpha virt. eigenvalues --    3.03375   3.03540   3.04480   3.05691   3.06474
 Alpha virt. eigenvalues --    3.10077   3.10312   3.12215   3.16124   3.16480
 Alpha virt. eigenvalues --    3.17432   3.18218   3.20013   3.22096   3.24173
 Alpha virt. eigenvalues --    3.24499   3.26982   3.27555   3.29898   3.33468
 Alpha virt. eigenvalues --    3.35309   3.39121   3.52837   3.53362   3.65854
 Alpha virt. eigenvalues --    3.66060   3.69607   3.86070   3.90168   4.03799
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.314522  -2.581253  -1.830765   0.229365  -0.292213  -0.097192
     2  C   -2.581253  13.728366   0.354423  -0.983629   0.501031  -1.295128
     3  C   -1.830765   0.354423  11.198373  -1.259278  -0.136748  -0.535423
     4  C    0.229365  -0.983629  -1.259278  14.253696  -2.297773   0.519875
     5  C   -0.292213   0.501031  -0.136748  -2.297773  10.699178  -1.127303
     6  C   -0.097192  -1.295128  -0.535423   0.519875  -1.127303   9.903385
     7  C   -0.586001  -0.469778  -0.445491   0.179342   0.069333   0.235889
     8  H   -1.103298   0.248459  -0.315364  -2.318642   0.237552   0.263465
     9  H    0.134354  -0.018215  -0.010249  -1.484156   0.312812  -0.617001
    10  H    0.211005  -1.533707   0.239384   0.164751  -1.156934  -0.575379
    11  C    0.039204   0.028946  -0.747990   0.056254  -0.626468   0.034954
    12  C    0.010067   0.005646  -0.000110  -0.003903  -0.074935   0.006108
    13  C    0.003876  -0.000127  -0.175618   0.307890  -0.220707  -0.013416
    14  H   -0.017324  -0.009754  -0.229521  -0.207636   0.148817   0.021516
    15  H   -0.000387  -0.000141  -0.026397  -0.003919  -0.014321  -0.000958
    16  H    0.000386   0.000568   0.066276  -0.064422   0.017731  -0.000968
    17  H    0.000796   0.002771   0.012082  -0.057931  -0.003058   0.005090
    18  O   -0.000219  -0.000522   0.040724  -0.030449   0.044635  -0.000874
    19  O   -0.001356  -0.002679   0.030457  -0.038907   0.010018   0.009580
    20  H   -0.001066  -0.004376  -0.021613  -0.018450  -0.009001  -0.001198
    21  C    0.039727  -0.514838   0.125285   0.016471  -0.008079  -0.029351
    22  C   -0.765036   0.204480   0.025514   0.007577   0.023510   0.190609
    23  C   -0.091493  -0.996286   0.114384   0.105078  -0.004415  -0.702618
    24  O    0.047341   0.020855  -0.003525  -0.001966  -0.000929   0.003509
    25  C   -0.004276  -0.005557   0.000205  -0.000200   0.000356  -0.002603
    26  H   -0.274047   0.145104  -0.123829   0.022049  -0.015834  -0.025191
    27  H   -0.010473   0.023975   0.003993   0.000548   0.000251   0.001205
    28  H    0.052274  -0.218446  -0.007498  -0.018120   0.023005   0.002460
    29  H    0.001188  -0.000443  -0.000069   0.000019   0.000082   0.000392
    30  H   -0.001204  -0.001434   0.000015   0.000003  -0.000004  -0.000200
    31  H    0.001509  -0.000717  -0.000058   0.000010   0.000098   0.000305
               7          8          9         10         11         12
     1  C   -0.586001  -1.103298   0.134354   0.211005   0.039204   0.010067
     2  C   -0.469778   0.248459  -0.018215  -1.533707   0.028946   0.005646
     3  C   -0.445491  -0.315364  -0.010249   0.239384  -0.747990  -0.000110
     4  C    0.179342  -2.318642  -1.484156   0.164751   0.056254  -0.003903
     5  C    0.069333   0.237552   0.312812  -1.156934  -0.626468  -0.074935
     6  C    0.235889   0.263465  -0.617001  -0.575379   0.034954   0.006108
     7  C    8.660684  -0.285174  -0.003255  -0.003984  -0.016238  -0.000533
     8  H   -0.285174   4.496460   0.058563  -0.031152  -0.410071  -0.028538
     9  H   -0.003255   0.058563   3.899428  -0.957852  -0.333018  -0.029853
    10  H   -0.003984  -0.031152  -0.957852   4.610979   0.005758   0.002236
    11  C   -0.016238  -0.410071  -0.333018   0.005758   7.668528   0.470932
    12  C   -0.000533  -0.028538  -0.029853   0.002236   0.470932   4.229904
    13  C    0.002928  -0.095553  -0.018244   0.002317  -0.343566   0.004822
    14  H    0.002380  -0.000505   0.035484  -0.000940   0.051048  -0.177365
    15  H   -0.000023  -0.007229  -0.002660  -0.000024   0.210277   0.220890
    16  H   -0.000379   0.024194  -0.010126   0.000397   0.119269   0.205205
    17  H    0.000114   0.002565   0.016195   0.000688   0.042362   0.261119
    18  O   -0.000191   0.010181  -0.006728  -0.000181  -0.106850  -0.015973
    19  O   -0.002296   0.014723  -0.003287   0.002518  -0.002541   0.009424
    20  H    0.001736  -0.002786  -0.014385   0.000809  -0.057948  -0.000224
    21  C   -0.329905   0.064477   0.000811  -0.021777  -0.000395   0.000027
    22  C    0.366138  -0.005869   0.000469  -0.008449  -0.000619  -0.000041
    23  C   -0.601450  -0.015272  -0.003054  -0.180345  -0.000820   0.000198
    24  O    0.007462  -0.000862  -0.000016   0.004127   0.000025   0.000002
    25  C   -0.002095  -0.000029  -0.000001   0.000478  -0.000006  -0.000000
    26  H   -0.967212  -0.210063   0.000555   0.000915  -0.001375  -0.000127
    27  H    0.053594   0.000443  -0.000019   0.000437  -0.000070   0.000002
    28  H    0.108509   0.003553  -0.002021  -0.151611  -0.000280   0.000028
    29  H    0.001090  -0.000003   0.000003   0.000288  -0.000001   0.000000
    30  H   -0.000142   0.000000   0.000000  -0.000023  -0.000000  -0.000000
    31  H    0.001103  -0.000003   0.000003   0.000221  -0.000000  -0.000000
              13         14         15         16         17         18
     1  C    0.003876  -0.017324  -0.000387   0.000386   0.000796  -0.000219
     2  C   -0.000127  -0.009754  -0.000141   0.000568   0.002771  -0.000522
     3  C   -0.175618  -0.229521  -0.026397   0.066276   0.012082   0.040724
     4  C    0.307890  -0.207636  -0.003919  -0.064422  -0.057931  -0.030449
     5  C   -0.220707   0.148817  -0.014321   0.017731  -0.003058   0.044635
     6  C   -0.013416   0.021516  -0.000958  -0.000968   0.005090  -0.000874
     7  C    0.002928   0.002380  -0.000023  -0.000379   0.000114  -0.000191
     8  H   -0.095553  -0.000505  -0.007229   0.024194   0.002565   0.010181
     9  H   -0.018244   0.035484  -0.002660  -0.010126   0.016195  -0.006728
    10  H    0.002317  -0.000940  -0.000024   0.000397   0.000688  -0.000181
    11  C   -0.343566   0.051048   0.210277   0.119269   0.042362  -0.106850
    12  C    0.004822  -0.177365   0.220890   0.205205   0.261119  -0.015973
    13  C    6.148021  -0.141137  -0.054331  -0.020566   0.059554   0.288869
    14  H   -0.141137   1.297182   0.029078  -0.035967  -0.009402  -0.016503
    15  H   -0.054331   0.029078   0.698368  -0.097116  -0.039488  -0.015837
    16  H   -0.020566  -0.035967  -0.097116   0.737482   0.007958   0.015560
    17  H    0.059554  -0.009402  -0.039488   0.007958   0.746686  -0.015451
    18  O    0.288869  -0.016503  -0.015837   0.015560  -0.015451   7.950774
    19  O    0.007719  -0.020843   0.005519   0.000484  -0.006358   0.060120
    20  H    0.124324   0.013628  -0.000775   0.000998  -0.000464  -0.014678
    21  C   -0.000201   0.000008  -0.000000   0.000008   0.000001   0.000013
    22  C    0.000311  -0.000045   0.000000  -0.000005  -0.000010  -0.000014
    23  C   -0.000008  -0.000131  -0.000006   0.000003   0.000072  -0.000005
    24  O   -0.000000   0.000001   0.000000  -0.000000   0.000000  -0.000000
    25  C    0.000002  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    26  H    0.000491   0.001448  -0.000008   0.000012   0.000010  -0.000017
    27  H   -0.000000  -0.000001   0.000000  -0.000000   0.000000  -0.000000
    28  H    0.000090  -0.000006   0.000000   0.000003   0.000000  -0.000005
    29  H    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    30  H    0.000000   0.000000   0.000000  -0.000000  -0.000000  -0.000000
    31  H    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
              19         20         21         22         23         24
     1  C   -0.001356  -0.001066   0.039727  -0.765036  -0.091493   0.047341
     2  C   -0.002679  -0.004376  -0.514838   0.204480  -0.996286   0.020855
     3  C    0.030457  -0.021613   0.125285   0.025514   0.114384  -0.003525
     4  C   -0.038907  -0.018450   0.016471   0.007577   0.105078  -0.001966
     5  C    0.010018  -0.009001  -0.008079   0.023510  -0.004415  -0.000929
     6  C    0.009580  -0.001198  -0.029351   0.190609  -0.702618   0.003509
     7  C   -0.002296   0.001736  -0.329905   0.366138  -0.601450   0.007462
     8  H    0.014723  -0.002786   0.064477  -0.005869  -0.015272  -0.000862
     9  H   -0.003287  -0.014385   0.000811   0.000469  -0.003054  -0.000016
    10  H    0.002518   0.000809  -0.021777  -0.008449  -0.180345   0.004127
    11  C   -0.002541  -0.057948  -0.000395  -0.000619  -0.000820   0.000025
    12  C    0.009424  -0.000224   0.000027  -0.000041   0.000198   0.000002
    13  C    0.007719   0.124324  -0.000201   0.000311  -0.000008  -0.000000
    14  H   -0.020843   0.013628   0.000008  -0.000045  -0.000131   0.000001
    15  H    0.005519  -0.000775  -0.000000   0.000000  -0.000006   0.000000
    16  H    0.000484   0.000998   0.000008  -0.000005   0.000003  -0.000000
    17  H   -0.006358  -0.000464   0.000001  -0.000010   0.000072   0.000000
    18  O    0.060120  -0.014678   0.000013  -0.000014  -0.000005  -0.000000
    19  O    8.002622   0.161294   0.000026  -0.000077  -0.000237  -0.000003
    20  H    0.161294   0.548873  -0.000090  -0.000050   0.000264  -0.000000
    21  C    0.000026  -0.000090   8.642194  -1.022783  -0.011687   0.005383
    22  C   -0.000077  -0.000050  -1.022783   9.629018  -1.150818   0.108626
    23  C   -0.000237   0.000264  -0.011687  -1.150818   9.776247   0.162833
    24  O   -0.000003  -0.000000   0.005383   0.108626   0.162833   8.329392
    25  C   -0.000001  -0.000000  -0.002336   0.085934  -0.035639   0.146792
    26  H   -0.000680   0.000227  -0.699543   0.163625   0.125263   0.005652
    27  H    0.000005  -0.000002  -0.149207  -0.502670   0.044880   0.095591
    28  H   -0.000046  -0.000011   0.115316  -1.123970  -1.012899  -0.260779
    29  H   -0.000000  -0.000000   0.004078  -0.013123   0.016581   0.079812
    30  H   -0.000000  -0.000000   0.005232   0.045506   0.030573  -0.220700
    31  H    0.000000   0.000000   0.003955  -0.018076   0.017173   0.080081
              25         26         27         28         29         30
     1  C   -0.004276  -0.274047  -0.010473   0.052274   0.001188  -0.001204
     2  C   -0.005557   0.145104   0.023975  -0.218446  -0.000443  -0.001434
     3  C    0.000205  -0.123829   0.003993  -0.007498  -0.000069   0.000015
     4  C   -0.000200   0.022049   0.000548  -0.018120   0.000019   0.000003
     5  C    0.000356  -0.015834   0.000251   0.023005   0.000082  -0.000004
     6  C   -0.002603  -0.025191   0.001205   0.002460   0.000392  -0.000200
     7  C   -0.002095  -0.967212   0.053594   0.108509   0.001090  -0.000142
     8  H   -0.000029  -0.210063   0.000443   0.003553  -0.000003   0.000000
     9  H   -0.000001   0.000555  -0.000019  -0.002021   0.000003   0.000000
    10  H    0.000478   0.000915   0.000437  -0.151611   0.000288  -0.000023
    11  C   -0.000006  -0.001375  -0.000070  -0.000280  -0.000001  -0.000000
    12  C   -0.000000  -0.000127   0.000002   0.000028   0.000000  -0.000000
    13  C    0.000002   0.000491  -0.000000   0.000090   0.000000   0.000000
    14  H   -0.000000   0.001448  -0.000001  -0.000006  -0.000000   0.000000
    15  H    0.000000  -0.000008   0.000000   0.000000   0.000000   0.000000
    16  H   -0.000000   0.000012  -0.000000   0.000003  -0.000000  -0.000000
    17  H    0.000000   0.000010   0.000000   0.000000   0.000000  -0.000000
    18  O   -0.000000  -0.000017  -0.000000  -0.000005  -0.000000  -0.000000
    19  O   -0.000001  -0.000680   0.000005  -0.000046  -0.000000  -0.000000
    20  H   -0.000000   0.000227  -0.000002  -0.000011  -0.000000  -0.000000
    21  C   -0.002336  -0.699543  -0.149207   0.115316   0.004078   0.005232
    22  C    0.085934   0.163625  -0.502670  -1.123970  -0.013123   0.045506
    23  C   -0.035639   0.125263   0.044880  -1.012899   0.016581   0.030573
    24  O    0.146792   0.005652   0.095591  -0.260779   0.079812  -0.220700
    25  C    4.198103   0.000767  -0.017692  -0.033883   0.230456   0.483310
    26  H    0.000767   2.844653  -0.228759  -0.014978   0.000032  -0.000016
    27  H   -0.017692  -0.228759   1.489062   0.023539   0.001509  -0.001767
    28  H   -0.033883  -0.014978   0.023539   3.246007  -0.034873   0.050039
    29  H    0.230456   0.000032   0.001509  -0.034873   0.690941  -0.176707
    30  H    0.483310  -0.000016  -0.001767   0.050039  -0.176707   1.395716
    31  H    0.231587   0.000030   0.001533  -0.030487   0.025742  -0.176431
              31
     1  C    0.001509
     2  C   -0.000717
     3  C   -0.000058
     4  C    0.000010
     5  C    0.000098
     6  C    0.000305
     7  C    0.001103
     8  H   -0.000003
     9  H    0.000003
    10  H    0.000221
    11  C   -0.000000
    12  C   -0.000000
    13  C    0.000000
    14  H   -0.000000
    15  H    0.000000
    16  H   -0.000000
    17  H    0.000000
    18  O   -0.000000
    19  O    0.000000
    20  H    0.000000
    21  C    0.003955
    22  C   -0.018076
    23  C    0.017173
    24  O    0.080081
    25  C    0.231587
    26  H    0.000030
    27  H    0.001533
    28  H   -0.030487
    29  H    0.025742
    30  H   -0.176431
    31  H    0.689100
 Mulliken charges:
               1
     1  C   -0.428010
     2  C   -0.627592
     3  C   -0.341569
     4  C   -1.073547
     5  C   -0.099688
     6  C   -0.173538
     7  C    0.023846
     8  H    0.405776
     9  H    0.055464
    10  H    0.375052
    11  C   -0.079300
    12  C    0.904992
    13  C    0.132262
    14  H    0.266488
    15  H    0.099489
    16  H    0.033013
    17  H   -0.025904
    18  O   -0.186377
    19  O   -0.235198
    20  H    0.294966
    21  C   -0.232820
    22  C   -0.239659
    23  C    0.413635
    24  O   -0.608705
    25  C    0.726331
    26  H    0.250847
    27  H    0.170093
    28  H    0.285091
    29  H    0.173004
    30  H   -0.431767
    31  H    0.173323
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.428010
     2  C   -0.627592
     3  C    0.064207
     4  C   -1.073547
     5  C   -0.044224
     6  C    0.201514
     7  C    0.274694
    11  C    0.187188
    12  C    1.011590
    13  C    0.132262
    18  O   -0.186377
    19  O    0.059768
    21  C   -0.062726
    22  C   -0.239659
    23  C    0.698726
    24  O   -0.608705
    25  C    0.640891
 Electronic spatial extent (au):  <R**2>=           5501.4145
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.2808    Y=              0.3701    Z=             -1.7823  Tot=              5.5858
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -117.2291   YY=            -88.6669   ZZ=           -105.9272
   XY=             13.9660   XZ=            -11.0798   YZ=              1.3690
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -13.2881   YY=             15.2742   ZZ=             -1.9861
   XY=             13.9660   XZ=            -11.0798   YZ=              1.3690
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -212.5084  YYY=              2.0631  ZZZ=              3.3317  XYY=            -12.7699
  XXY=             -8.0679  XXZ=            -43.7086  XZZ=             -5.1034  YZZ=             -0.1368
  YYZ=              1.7767  XYZ=              6.0895
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6505.6836 YYYY=           -678.1327 ZZZZ=           -489.3944 XXXY=            379.5005
 XXXZ=           -223.6246 YYYX=             -6.4385 YYYZ=              2.9445 ZZZX=            -12.9709
 ZZZY=              0.2276 XXYY=          -1039.5134 XXZZ=          -1147.4471 YYZZ=           -213.6567
 XXYZ=             14.6653 YYXZ=             -0.1490 ZZXY=             14.1344
 N-N= 1.134219035632D+03 E-N=-4.049602542237D+03  KE= 7.579170007321D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 13:35:59 2021, MaxMem=  5368709120 cpu:              13.2 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.05154310D+00 1.44098662D-01-6.12924232D-01
 Polarizability= 2.76001193D+02-6.98195046D+00 1.60134810D+02
                -1.23090949D+01 1.86295908D+00 1.11988278D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        6.4548    6.4526       -4.3660   -4.3584
 2     -6.4548   -6.4526       -1.0288   -1.0278      -61.5437  -61.5422
 3      4.3660    4.3584       87.0331   87.0234        1.0253    1.0278
 4      1.0288    1.0278        0.0000    0.0000        4.3619    4.3584
 5    -25.4894  -25.4811       -4.3619   -4.3584        6.4536    6.4526
 6     -1.0253   -1.0278       -6.4536   -6.4526       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -19.3579  -19.3579      -13.0751  -13.0751
 2      3.0834    3.0834       -0.0000    0.0000      -13.0751  -13.0751
 3      3.0834    3.0834      -19.3579  -19.3579        0.0000    0.0000
 4    -19.3579  -19.3579       -3.0834   -3.0834     -184.6267 -184.6267
 5     13.0751   13.0751      261.0701  261.0701        3.0834    3.0834
 6    -76.4434  -76.4434      -13.0751  -13.0751       19.3579   19.3579
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.6562    0.0000      -25.7073  -25.8105       17.7458   17.4335
 2     26.1167   25.8105        4.2234    4.1112      245.2697  246.1690
 3    -17.2819  -17.4335     -348.5486 -348.0934       -4.2989   -4.1112
 4     -4.0704   -4.1112       -0.2173    0.0000      -17.4400  -17.4335
 5    102.0907  101.9245       17.4436   17.4335      -26.0245  -25.8105
 6      4.1589    4.1112       26.1864   25.8105        0.2185    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2174    0.0000       75.2791   75.4379      -19.1195  -19.1744
 2    -74.6280  -75.4379       94.8643   95.9963       -8.0663   -7.4211
 3     19.2011   19.1744        1.3111    0.6398      -98.5619  -95.9963
 4    -95.9085  -95.9963        0.5645    0.0000       19.0114   19.1744
 5      6.9415    6.7813      -19.0362  -19.1744       74.0788   75.4379
 6     96.2551   95.9963      -76.0096  -75.4379       -0.0712    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -96.3434  -96.8330       64.1328   63.4361       10.8160   11.0670
 2   -234.3019 -234.2480      103.9354  102.8514       11.0762   11.0670
 3   -233.9623 -234.2480       64.6803   63.4361       35.9542   36.1597
 4    -39.5182  -39.4152      137.3295  137.4150       -8.1665   -7.1028
 5     25.4093   25.0927       -0.7851   -0.1418     -138.6875 -137.4150
 6      8.2947    7.2446      -24.5242  -25.0927       37.8230   39.4152
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4325   -2.8268   -0.0005    0.0007    0.0007    2.9090
 Low frequencies ---   28.5925   40.9996   45.5087
 Diagonal vibrational polarizability:
       64.2976957      99.7890273      83.6611673
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     28.5920                40.9969                45.5086
 Red. masses --      5.3904                 8.0286                 4.5467
 Frc consts  --      0.0026                 0.0080                 0.0055
 IR Inten    --      2.3576                 6.7175                 0.4206
 RamAct Fr= 1--      4.0053                 1.0080                 2.2469
  Dep-P Fr= 1--      0.7491                 0.7091                 0.7498
  Dep-U Fr= 1--      0.8566                 0.8298                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0000
 Beta2  Fr= 1--      0.5718                 0.1394                 0.3209
 AlphaG Fr= 1--      0.0011                 0.0096                -0.0008
 Gamma2 Fr= 1--      0.4442                -0.8158                 0.8247
 Delta2 Fr= 1--      0.2293                -0.4168                 0.1187
 Raman1 Fr= 1--      16.021                  4.032                  8.987
 ROA1   Fr= 1--      49.982                -91.658                 82.970
 CID1   Fr= 1--       3.120                -22.733                  9.232
 Raman2 Fr= 1--       6.862                  1.673                  3.851
 ROA2   Fr= 1--       8.826                -16.245                 18.844
 CID2   Fr= 1--       1.286                 -9.711                  4.893
 Raman3 Fr= 1--      13.723                  3.346                  7.702
 ROA3   Fr= 1--      49.982                -91.658                 82.970
 CID3   Fr= 1--       3.642                -27.396                 10.772
 RC180  Fr= 1--       0.713                  0.660                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.01  -0.02   0.03    -0.00   0.02  -0.12
     2   6    -0.00   0.02   0.09    -0.03  -0.01   0.04     0.01   0.02  -0.08
     3   6    -0.03   0.04   0.03    -0.00  -0.04   0.03    -0.00   0.03  -0.10
     4   6    -0.01   0.05   0.12    -0.01  -0.05   0.04     0.01   0.04  -0.05
     5   6     0.02   0.04   0.21    -0.04  -0.05   0.06     0.02   0.03  -0.05
     6   6     0.02   0.03   0.21    -0.04  -0.03   0.06     0.02   0.02  -0.06
     7   6    -0.05   0.02  -0.12     0.01  -0.00   0.01    -0.01   0.02  -0.16
     8   1    -0.04   0.05  -0.04     0.01  -0.05   0.02    -0.01   0.03  -0.10
     9   1     0.03   0.05   0.29    -0.05  -0.06   0.06     0.03   0.04  -0.02
    10   1     0.04   0.02   0.28    -0.05  -0.03   0.08     0.03   0.02  -0.04
    11   6    -0.01   0.06   0.06    -0.02  -0.06  -0.01     0.01   0.04   0.05
    12   6    -0.12   0.18  -0.03    -0.05  -0.11  -0.01     0.08   0.14   0.04
    13   6     0.06  -0.08  -0.05     0.08   0.06  -0.02    -0.05  -0.06   0.05
    14   1    -0.01   0.05   0.16    -0.03  -0.05  -0.08     0.02   0.04   0.14
    15   1    -0.11   0.16  -0.08    -0.06  -0.11  -0.05     0.09   0.11   0.13
    16   1    -0.17   0.28   0.05    -0.08  -0.15  -0.02     0.14   0.22   0.05
    17   1    -0.15   0.19  -0.14    -0.06  -0.11   0.03     0.05   0.14  -0.05
    18   8     0.03  -0.14  -0.18     0.26   0.48  -0.03    -0.02   0.00   0.08
    19   8     0.17  -0.14   0.02    -0.04  -0.33  -0.03    -0.14  -0.23   0.03
    20   1     0.18  -0.08   0.12    -0.13  -0.59  -0.04    -0.14  -0.24  -0.00
    21   6    -0.05   0.00  -0.15     0.00   0.02  -0.01    -0.01   0.01  -0.10
    22   6    -0.02  -0.01  -0.06    -0.02   0.03  -0.01     0.01   0.00  -0.01
    23   6    -0.00   0.00   0.06    -0.03   0.01   0.02     0.02   0.01  -0.02
    24   8    -0.03  -0.02  -0.11    -0.03   0.05  -0.05     0.02  -0.01   0.08
    25   6    -0.00  -0.03  -0.03    -0.05   0.06  -0.07     0.05  -0.02   0.29
    26   1    -0.07   0.02  -0.19     0.03  -0.01   0.01    -0.02   0.02  -0.21
    27   1    -0.06  -0.01  -0.25     0.01   0.03  -0.03    -0.01   0.00  -0.11
    28   1     0.02  -0.00   0.13    -0.05   0.02   0.03     0.03   0.00   0.04
    29   1     0.05  -0.10   0.02    -0.03   0.06  -0.06    -0.04  -0.12   0.32
    30   1    -0.01  -0.04  -0.10    -0.06   0.09  -0.11     0.06  -0.03   0.39
    31   1    -0.04   0.05   0.03    -0.10   0.05  -0.06     0.15   0.08   0.31
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.1629               127.4601               139.0871
 Red. masses --      4.0011                 4.4316                 4.0576
 Frc consts  --      0.0218                 0.0424                 0.0462
 IR Inten    --      2.9566                 0.3348                 0.2755
 RamAct Fr= 1--      2.4151                 0.2817                 0.4616
  Dep-P Fr= 1--      0.7249                 0.3040                 0.7498
  Dep-U Fr= 1--      0.8405                 0.4662                 0.8570
 Alpha2 Fr= 1--      0.0010                 0.0029                 0.0000
 Beta2  Fr= 1--      0.3383                 0.0219                 0.0659
 AlphaG Fr= 1--      0.0012                 0.0120                -0.0003
 Gamma2 Fr= 1--     -0.1105                 0.1501                 1.0682
 Delta2 Fr= 1--      0.3419                -0.2867                 0.8809
 Raman1 Fr= 1--       9.661                  1.127                  1.846
 ROA1   Fr= 1--       0.331                  5.240                130.737
 CID1   Fr= 1--       0.034                  4.650                 70.804
 Raman2 Fr= 1--       4.060                  0.263                  0.791
 ROA2   Fr= 1--      -5.388                  5.897                 18.589
 CID2   Fr= 1--      -1.327                 22.447                 23.495
 Raman3 Fr= 1--       8.120                  0.525                  1.582
 ROA3   Fr= 1--       0.331                  5.240                130.737
 CID3   Fr= 1--       0.041                  9.973                 82.618
 RC180  Fr= 1--       0.681                 -0.068                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.04    -0.02  -0.08  -0.13     0.03  -0.10   0.09
     2   6    -0.03  -0.02  -0.10    -0.04  -0.07  -0.10     0.01  -0.09   0.12
     3   6    -0.00  -0.04   0.13    -0.02  -0.09  -0.08     0.01  -0.09   0.02
     4   6    -0.01  -0.04   0.09    -0.00  -0.08   0.03     0.01  -0.08  -0.07
     5   6    -0.03  -0.03  -0.04    -0.01  -0.08   0.02     0.02  -0.08  -0.06
     6   6    -0.04  -0.02  -0.13    -0.03  -0.07  -0.06     0.02  -0.09   0.06
     7   6    -0.00  -0.02   0.04     0.01  -0.05  -0.13     0.06  -0.06   0.06
     8   1     0.01  -0.04   0.21    -0.03  -0.08  -0.10     0.00  -0.09   0.03
     9   1    -0.04  -0.04  -0.08    -0.01  -0.09   0.08     0.01  -0.08  -0.13
    10   1    -0.05  -0.02  -0.24    -0.02  -0.07  -0.05     0.03  -0.09   0.08
    11   6    -0.01  -0.02   0.06    -0.01   0.01   0.08    -0.01   0.03  -0.04
    12   6    -0.06  -0.01   0.03     0.03   0.16   0.04     0.10   0.21  -0.05
    13   6     0.07   0.02   0.02     0.05   0.02   0.04    -0.04   0.03  -0.03
    14   1    -0.04  -0.02   0.04    -0.10   0.01   0.15    -0.11   0.04   0.05
    15   1    -0.07   0.05  -0.03     0.01   0.27   0.05     0.08   0.30   0.04
    16   1    -0.13  -0.06   0.05    -0.02   0.18   0.08     0.12   0.27  -0.03
    17   1     0.00  -0.02   0.06     0.13   0.16  -0.04     0.19   0.22  -0.18
    18   8     0.07   0.03  -0.04     0.05   0.03  -0.01    -0.04   0.02   0.02
    19   8     0.16   0.08   0.06     0.13   0.06   0.07    -0.09   0.04  -0.05
    20   1     0.15   0.07   0.11     0.12   0.05   0.12    -0.08   0.04  -0.09
    21   6    -0.01  -0.00  -0.04     0.02  -0.02  -0.01     0.05  -0.02  -0.02
    22   6    -0.03   0.00  -0.12    -0.01  -0.01   0.07     0.02  -0.01  -0.01
    23   6    -0.05  -0.00  -0.17    -0.05  -0.04  -0.03    -0.01  -0.05   0.12
    24   8    -0.03   0.02  -0.12    -0.00   0.06   0.24    -0.00   0.08  -0.17
    25   6    -0.03   0.03   0.24    -0.13   0.11  -0.10    -0.10   0.13   0.05
    26   1     0.02  -0.02   0.13     0.04  -0.06  -0.18     0.10  -0.08   0.05
    27   1    -0.00   0.00  -0.02     0.04  -0.00   0.04     0.07  -0.00  -0.09
    28   1    -0.06   0.00  -0.25    -0.08  -0.03   0.00    -0.05  -0.04   0.14
    29   1    -0.18  -0.18   0.32    -0.21   0.35  -0.25    -0.04  -0.09   0.19
    30   1    -0.01   0.05   0.39    -0.12   0.19  -0.03    -0.10   0.23  -0.08
    31   1     0.11   0.22   0.30    -0.16  -0.17  -0.27    -0.23   0.28   0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    187.7822               209.6128               213.2491
 Red. masses --      3.2557                 1.0819                 3.1635
 Frc consts  --      0.0676                 0.0280                 0.0848
 IR Inten    --      0.9679                 0.5582                 2.5538
 RamAct Fr= 1--      0.1168                 0.2247                 6.1822
  Dep-P Fr= 1--      0.1235                 0.4586                 0.3109
  Dep-U Fr= 1--      0.2199                 0.6288                 0.4743
 Alpha2 Fr= 1--      0.0019                 0.0013                 0.0614
 Beta2  Fr= 1--      0.0043                 0.0235                 0.4887
 AlphaG Fr= 1--      0.0021                 0.0022                -0.0091
 Gamma2 Fr= 1--     -0.2366                -0.1720                -0.6265
 Delta2 Fr= 1--      0.0170                -0.0679                -0.3401
 Raman1 Fr= 1--       0.467                  0.899                 24.729
 ROA1   Fr= 1--     -22.169                -18.683                -71.028
 CID1   Fr= 1--     -47.460                -20.789                 -2.872
 Raman2 Fr= 1--       0.051                  0.283                  5.864
 ROA2   Fr= 1--      -5.815                 -3.585                -12.316
 CID2   Fr= 1--    -113.212                -12.688                 -2.100
 Raman3 Fr= 1--       0.103                  0.565                 11.728
 ROA3   Fr= 1--     -22.169                -18.683                -71.028
 CID3   Fr= 1--    -215.808                -33.062                 -6.056
 RC180  Fr= 1--      -0.560                  0.258                 -0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.08    -0.00   0.00  -0.01     0.03  -0.02   0.06
     2   6     0.01  -0.02  -0.10     0.00   0.00  -0.01     0.01  -0.01   0.01
     3   6    -0.01  -0.01  -0.13    -0.00  -0.00  -0.02     0.02  -0.06   0.12
     4   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.09   0.06
     5   6     0.04  -0.01   0.22     0.00  -0.00   0.02    -0.02  -0.09   0.02
     6   6     0.03  -0.02   0.12    -0.00   0.00   0.01    -0.03  -0.05   0.01
     7   6     0.03  -0.02   0.10     0.00   0.00   0.01     0.07   0.02  -0.03
     8   1    -0.02  -0.00  -0.22    -0.00  -0.00  -0.04     0.07  -0.08   0.15
     9   1     0.07  -0.01   0.44     0.00  -0.00   0.04    -0.03  -0.09  -0.01
    10   1     0.05  -0.03   0.23    -0.00   0.00   0.03    -0.07  -0.04  -0.02
    11   6    -0.00   0.02  -0.02    -0.01   0.01   0.00    -0.06  -0.02   0.00
    12   6    -0.03   0.03  -0.04     0.03   0.00   0.02    -0.15   0.08  -0.07
    13   6    -0.03   0.01  -0.02    -0.01   0.01  -0.00    -0.06   0.01  -0.01
    14   1    -0.01   0.02  -0.01    -0.03   0.02  -0.01    -0.12  -0.02   0.03
    15   1     0.00  -0.09   0.00    -0.10   0.49  -0.21    -0.17   0.16  -0.18
    16   1     0.04   0.16  -0.02    -0.32  -0.44  -0.00    -0.28   0.10   0.01
    17   1    -0.17   0.05  -0.12     0.54  -0.05   0.30    -0.09   0.08  -0.13
    18   8    -0.03   0.00   0.01    -0.02  -0.01  -0.03    -0.05   0.03   0.02
    19   8    -0.06   0.00  -0.03    -0.01  -0.02   0.00    -0.09   0.04  -0.03
    20   1    -0.06   0.01  -0.06    -0.00  -0.01   0.02    -0.10   0.00  -0.06
    21   6     0.04  -0.01   0.18     0.00   0.01   0.02     0.05   0.06  -0.10
    22   6     0.02  -0.01  -0.05     0.00   0.01   0.00     0.05   0.06  -0.03
    23   6    -0.00  -0.01  -0.20     0.00   0.01  -0.01     0.02   0.04  -0.04
    24   8     0.02   0.02  -0.05     0.00   0.00  -0.01     0.07   0.02   0.07
    25   6    -0.01   0.03   0.04     0.01  -0.00   0.00     0.19  -0.03  -0.03
    26   1     0.05  -0.02   0.23     0.01   0.00   0.02     0.11   0.00  -0.06
    27   1     0.06  -0.02   0.38     0.01   0.01   0.04     0.06   0.07  -0.17
    28   1    -0.02  -0.01  -0.30    -0.00   0.01  -0.01    -0.01   0.05  -0.05
    29   1    -0.20   0.03  -0.01     0.03  -0.01   0.01     0.03   0.15  -0.18
    30   1     0.01   0.05   0.24     0.01  -0.01  -0.01     0.21  -0.16   0.25
    31   1     0.14   0.02  -0.04     0.02   0.01   0.01     0.46  -0.15  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    220.1036               241.1905               284.6901
 Red. masses --      2.6540                 1.6417                 2.7693
 Frc consts  --      0.0758                 0.0563                 0.1322
 IR Inten    --      1.9403                 0.3960                 1.8887
 RamAct Fr= 1--      1.8453                 1.3376                 1.9897
  Dep-P Fr= 1--      0.6826                 0.1850                 0.4487
  Dep-U Fr= 1--      0.8114                 0.3123                 0.6195
 Alpha2 Fr= 1--      0.0022                 0.0189                 0.0123
 Beta2  Fr= 1--      0.2495                 0.0696                 0.2054
 AlphaG Fr= 1--     -0.0043                -0.0133                -0.0003
 Gamma2 Fr= 1--     -1.5306                 0.1828                 0.5714
 Delta2 Fr= 1--     -0.5104                -0.0097                -0.0436
 Raman1 Fr= 1--       7.381                  5.350                  7.959
 ROA1   Fr= 1--    -163.269                 17.237                 53.460
 CID1   Fr= 1--     -22.119                  3.222                  6.717
 Raman2 Fr= 1--       2.994                  0.835                  2.465
 ROA2   Fr= 1--     -32.650                  4.465                 14.063
 CID2   Fr= 1--     -10.904                  5.345                  5.705
 Raman3 Fr= 1--       5.989                  1.671                  4.930
 ROA3   Fr= 1--    -163.269                 17.237                 53.460
 CID3   Fr= 1--     -27.262                 10.317                 10.843
 RC180  Fr= 1--       0.623                 -0.375                  0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.01   0.02   0.04     0.00   0.01   0.08
     2   6    -0.05   0.03  -0.02    -0.03   0.02   0.05    -0.02   0.02  -0.04
     3   6    -0.01  -0.05  -0.11    -0.00  -0.01  -0.00     0.02  -0.01   0.14
     4   6    -0.04  -0.09  -0.03    -0.00  -0.02  -0.04     0.02  -0.02   0.03
     5   6    -0.08  -0.08  -0.00    -0.04  -0.01  -0.01    -0.01  -0.01   0.09
     6   6    -0.09  -0.01  -0.01    -0.04   0.01   0.06    -0.02   0.01   0.06
     7   6     0.00   0.04   0.02    -0.03   0.01   0.02    -0.02   0.01   0.01
     8   1     0.03  -0.06  -0.15     0.01  -0.01  -0.01     0.04  -0.02   0.18
     9   1    -0.11  -0.10   0.03    -0.06  -0.03  -0.02    -0.02  -0.03   0.14
    10   1    -0.15   0.00   0.02    -0.05   0.02   0.09    -0.03   0.02   0.09
    11   6    -0.03  -0.06   0.02     0.02  -0.02  -0.03     0.03  -0.02  -0.06
    12   6     0.05   0.06   0.02     0.16   0.01   0.02     0.15   0.01  -0.02
    13   6     0.01  -0.02   0.02     0.02  -0.01  -0.02     0.02  -0.00  -0.05
    14   1    -0.08  -0.06   0.07    -0.00  -0.02  -0.01     0.01  -0.01  -0.05
    15   1     0.06   0.04   0.13     0.16   0.03   0.17     0.14   0.06   0.10
    16   1     0.13   0.18   0.03     0.26   0.03  -0.03     0.23   0.01  -0.07
    17   1     0.02   0.07  -0.12     0.19   0.01  -0.01     0.21   0.01  -0.04
    18   8     0.03   0.02  -0.00     0.02  -0.00  -0.02     0.01  -0.01  -0.00
    19   8     0.07   0.03   0.04     0.03   0.00  -0.01    -0.04   0.01  -0.09
    20   1     0.05  -0.00   0.07     0.03   0.00  -0.01    -0.04   0.01  -0.14
    21   6    -0.00   0.07   0.10    -0.04   0.02  -0.02    -0.03   0.01  -0.09
    22   6    -0.02   0.07   0.04    -0.04   0.02  -0.02    -0.04   0.01  -0.06
    23   6    -0.03   0.07   0.04    -0.03   0.03   0.00    -0.04   0.02  -0.16
    24   8    -0.02  -0.01  -0.06    -0.04  -0.01  -0.02    -0.02  -0.02   0.15
    25   6     0.16  -0.09  -0.01     0.01  -0.04  -0.01    -0.02  -0.03   0.01
    26   1     0.03   0.03   0.04    -0.03   0.02   0.02    -0.03   0.01   0.03
    27   1     0.02   0.09   0.17    -0.03   0.03  -0.04    -0.03   0.02  -0.12
    28   1    -0.04   0.07   0.06    -0.03   0.03  -0.04    -0.03   0.02  -0.17
    29   1     0.53  -0.21   0.16    -0.38   0.13  -0.21     0.38  -0.09   0.15
    30   1     0.12  -0.24  -0.37     0.05  -0.10   0.51    -0.06  -0.03  -0.47
    31   1    -0.01   0.12   0.21     0.41  -0.18  -0.29    -0.36   0.04   0.22
                     13                     14                     15
                      A                      A                      A
 Frequencies --    301.0332               382.7621               400.5402
 Red. masses --      4.1729                 4.4356                 5.1402
 Frc consts  --      0.2228                 0.3829                 0.4859
 IR Inten    --     10.1313                 5.9554                 1.1615
 RamAct Fr= 1--      5.1721                 1.5375                 0.9273
  Dep-P Fr= 1--      0.1608                 0.5106                 0.7293
  Dep-U Fr= 1--      0.2770                 0.6760                 0.8435
 Alpha2 Fr= 1--      0.0778                 0.0072                 0.0003
 Beta2  Fr= 1--      0.2388                 0.1732                 0.1304
 AlphaG Fr= 1--      0.0874                 0.0039                -0.0037
 Gamma2 Fr= 1--      0.9718                -0.9100                 1.4639
 Delta2 Fr= 1--      0.3131                 0.0767                 0.5661
 Raman1 Fr= 1--      20.689                  6.150                  3.709
 ROA1   Fr= 1--     103.314                -84.904                158.650
 CID1   Fr= 1--       4.994                -13.806                 42.771
 Raman2 Fr= 1--       2.865                  2.079                  1.564
 ROA2   Fr= 1--      20.819                -22.453                 30.605
 CID2   Fr= 1--       7.266                -10.802                 19.564
 Raman3 Fr= 1--       5.730                  4.157                  3.129
 ROA3   Fr= 1--     103.314                -84.904                158.650
 CID3   Fr= 1--      18.030                -20.423                 50.709
 RC180  Fr= 1--      -0.446                  0.352                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.07  -0.02    -0.08  -0.17  -0.01     0.02   0.04  -0.09
     2   6    -0.01   0.07   0.00    -0.10  -0.16  -0.01     0.01   0.05  -0.10
     3   6     0.06   0.02  -0.03    -0.10  -0.01   0.02     0.05  -0.03   0.13
     4   6     0.05  -0.02   0.01     0.04   0.12   0.04     0.03  -0.06   0.24
     5   6    -0.02   0.00  -0.00     0.04   0.11   0.03     0.01  -0.06   0.19
     6   6    -0.03   0.06  -0.01     0.05  -0.05  -0.05    -0.04   0.02  -0.21
     7   6    -0.04   0.03  -0.00    -0.01  -0.11  -0.02    -0.00   0.03  -0.13
     8   1     0.09   0.01  -0.03    -0.28   0.05   0.04     0.11  -0.05   0.11
     9   1    -0.05  -0.03  -0.01     0.09   0.15   0.04    -0.02  -0.09   0.27
    10   1    -0.06   0.07  -0.01     0.22  -0.11  -0.10    -0.11   0.04  -0.40
    11   6     0.10  -0.12  -0.02     0.10   0.10  -0.02     0.01   0.02   0.02
    12   6    -0.08   0.08  -0.19     0.02  -0.02  -0.02     0.07   0.00   0.08
    13   6     0.12  -0.10   0.03     0.10   0.02  -0.02     0.02   0.04  -0.07
    14   1     0.14  -0.12   0.07     0.15   0.10  -0.05    -0.06   0.03  -0.01
    15   1    -0.14   0.31  -0.44     0.03  -0.07  -0.09     0.08  -0.03   0.21
    16   1    -0.38   0.07  -0.02    -0.00  -0.09  -0.04     0.19  -0.00   0.00
    17   1     0.11   0.07  -0.29    -0.03  -0.02   0.10     0.06   0.00   0.10
    18   8     0.16  -0.04   0.25     0.07  -0.07   0.09    -0.01  -0.02  -0.08
    19   8    -0.02   0.05  -0.06    -0.02  -0.02  -0.09    -0.11   0.02  -0.16
    20   1    -0.02  -0.02  -0.21     0.02   0.06  -0.17    -0.08   0.06  -0.28
    21   6    -0.04  -0.01   0.02    -0.03   0.04   0.02     0.01   0.00   0.10
    22   6    -0.06  -0.02   0.02    -0.08   0.07   0.04     0.01  -0.00   0.16
    23   6    -0.01   0.03   0.03    -0.14  -0.03   0.05     0.04   0.03   0.16
    24   8    -0.06  -0.05  -0.02    -0.09   0.13  -0.01    -0.01  -0.04  -0.12
    25   6    -0.10  -0.05   0.01     0.17   0.03  -0.02    -0.06  -0.03  -0.01
    26   1    -0.10   0.05  -0.00     0.10  -0.15  -0.05    -0.04   0.04  -0.24
    27   1    -0.04  -0.01   0.04     0.04   0.10   0.02     0.01   0.01   0.10
    28   1     0.04   0.01   0.03    -0.24   0.00   0.06     0.06   0.02   0.17
    29   1    -0.18  -0.05  -0.01     0.29   0.11  -0.03    -0.20  -0.07  -0.02
    30   1    -0.09  -0.01   0.07     0.15  -0.24   0.01    -0.04   0.02   0.14
    31   1    -0.07  -0.06  -0.02     0.34   0.12  -0.04     0.03  -0.02  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.4210               453.9502               488.1798
 Red. masses --      3.3123                 5.0447                 2.5703
 Frc consts  --      0.3336                 0.6125                 0.3609
 IR Inten    --      0.0466                 9.4810                13.2523
 RamAct Fr= 1--      2.5663                 3.8202                 0.2470
  Dep-P Fr= 1--      0.7455                 0.1009                 0.6345
  Dep-U Fr= 1--      0.8542                 0.1834                 0.7764
 Alpha2 Fr= 1--      0.0002                 0.0667                 0.0005
 Beta2  Fr= 1--      0.3654                 0.1167                 0.0320
 AlphaG Fr= 1--      0.0056                -0.1402                -0.0026
 Gamma2 Fr= 1--      0.3988                -1.2907                -0.1400
 Delta2 Fr= 1--     -0.0194                -0.4309                -0.0046
 Raman1 Fr= 1--      10.265                 15.281                  0.988
 ROA1   Fr= 1--      37.661               -137.698                -13.587
 CID1   Fr= 1--       3.669                 -9.011                -13.755
 Raman2 Fr= 1--       4.384                  1.401                  0.383
 ROA2   Fr= 1--       9.726                -27.530                 -3.323
 CID2   Fr= 1--       2.218                -19.650                 -8.666
 Raman3 Fr= 1--       8.769                  2.802                  0.767
 ROA3   Fr= 1--      37.661               -137.698                -13.587
 CID3   Fr= 1--       4.295                -49.143                -17.717
 RC180  Fr= 1--       0.708                 -0.633                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.08    -0.11   0.05   0.00     0.02  -0.00   0.21
     2   6    -0.00   0.00  -0.04    -0.03  -0.00  -0.02     0.01  -0.00   0.18
     3   6    -0.01   0.00  -0.17    -0.13   0.09   0.04    -0.01   0.01  -0.11
     4   6     0.00  -0.01   0.02    -0.13   0.06   0.03     0.00   0.00   0.03
     5   6     0.01  -0.01   0.14    -0.10   0.07   0.05     0.00   0.00   0.07
     6   6    -0.02   0.00  -0.17    -0.07   0.02  -0.02    -0.01   0.00  -0.11
     7   6     0.02  -0.00   0.24    -0.11   0.04   0.00    -0.01   0.00  -0.10
     8   1    -0.03   0.00  -0.39    -0.15   0.10   0.05    -0.04   0.01  -0.44
     9   1     0.02  -0.01   0.29    -0.06   0.11   0.07    -0.00   0.00  -0.00
    10   1    -0.04   0.01  -0.34    -0.08   0.02  -0.03    -0.04   0.01  -0.42
    11   6     0.00   0.00   0.00    -0.07  -0.16  -0.01     0.00  -0.00  -0.02
    12   6     0.00   0.00   0.00     0.07   0.01  -0.01     0.01  -0.00  -0.03
    13   6     0.00   0.01  -0.00    -0.01  -0.14  -0.03    -0.01   0.01   0.01
    14   1    -0.00   0.00  -0.00     0.04  -0.17   0.09    -0.00  -0.00  -0.04
    15   1     0.00   0.00   0.00     0.03   0.18   0.17     0.01   0.01  -0.03
    16   1     0.00   0.00   0.00     0.13   0.04  -0.03     0.01   0.01  -0.03
    17   1    -0.00   0.00   0.00     0.25   0.00  -0.15     0.02  -0.00  -0.05
    18   8    -0.00  -0.00  -0.00     0.06   0.02   0.03    -0.01   0.00   0.01
    19   8    -0.00  -0.01  -0.00     0.02   0.06  -0.05     0.01  -0.02   0.02
    20   1     0.01   0.03  -0.00    -0.05  -0.18  -0.11     0.03   0.08   0.06
    21   6    -0.02   0.01  -0.20    -0.02  -0.12   0.00     0.00  -0.01   0.05
    22   6    -0.01   0.00  -0.09     0.14  -0.14   0.00     0.01  -0.01   0.08
    23   6     0.01   0.00   0.12     0.05  -0.18   0.01    -0.01  -0.00  -0.12
    24   8     0.00  -0.00   0.05     0.18   0.08  -0.02     0.00   0.00  -0.01
    25   6    -0.00  -0.00   0.00     0.14   0.17  -0.01     0.01   0.01   0.00
    26   1     0.04  -0.01   0.46    -0.17   0.06   0.01    -0.05   0.01  -0.46
    27   1    -0.03   0.01  -0.32    -0.19  -0.29   0.01    -0.02  -0.01  -0.13
    28   1     0.03  -0.00   0.34     0.11  -0.20   0.02    -0.04   0.00  -0.48
    29   1    -0.00   0.04  -0.02     0.12   0.15  -0.01     0.03  -0.02   0.02
    30   1    -0.00  -0.00   0.01     0.14   0.19   0.00     0.00   0.00  -0.04
    31   1    -0.01  -0.04  -0.02     0.14   0.15  -0.01    -0.01   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    498.2907               523.3692               533.2672
 Red. masses --      4.1577                 3.1269                 6.1066
 Frc consts  --      0.6082                 0.5046                 1.0231
 IR Inten    --      4.6455                20.6556                 5.4097
 RamAct Fr= 1--      2.8511                 0.8916                15.6620
  Dep-P Fr= 1--      0.5751                 0.7495                 0.2437
  Dep-U Fr= 1--      0.7302                 0.8568                 0.3918
 Alpha2 Fr= 1--      0.0094                 0.0000                 0.1889
 Beta2  Fr= 1--      0.3470                 0.1273                 1.0228
 AlphaG Fr= 1--      0.0060                -0.0029                -0.0504
 Gamma2 Fr= 1--     -1.5239                 1.7829                -1.5978
 Delta2 Fr= 1--     -0.7870                 0.1536                -0.2293
 Raman1 Fr= 1--      11.404                  3.566                 62.648
 ROA1   Fr= 1--    -171.483                176.077               -160.723
 CID1   Fr= 1--     -15.037                 49.373                 -2.566
 Raman2 Fr= 1--       4.164                  1.528                 12.274
 ROA2   Fr= 1--     -30.278                 41.561                -36.512
 CID2   Fr= 1--      -7.272                 27.204                 -2.975
 Raman3 Fr= 1--       8.328                  3.056                 24.548
 ROA3   Fr= 1--    -171.483                176.077               -160.723
 CID3   Fr= 1--     -20.592                 57.626                 -6.547
 RC180  Fr= 1--       0.460                  0.714                 -0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.02    -0.03   0.07  -0.01    -0.18  -0.01   0.02
     2   6     0.00   0.02   0.11    -0.02   0.07  -0.03     0.09  -0.10  -0.04
     3   6    -0.03  -0.04  -0.12     0.02  -0.09   0.03    -0.18  -0.08   0.04
     4   6    -0.02  -0.05   0.03     0.03  -0.09  -0.02    -0.07  -0.03  -0.02
     5   6    -0.04  -0.06  -0.12    -0.01  -0.09   0.00     0.16  -0.10   0.00
     6   6    -0.04  -0.00   0.07    -0.04   0.05   0.00     0.16  -0.14  -0.03
     7   6    -0.02   0.05   0.03    -0.09   0.05   0.01    -0.17   0.12   0.01
     8   1    -0.00  -0.05  -0.21     0.10  -0.11   0.04    -0.17  -0.08   0.05
     9   1    -0.09  -0.08  -0.26    -0.09  -0.17   0.05     0.27  -0.01   0.04
    10   1    -0.10   0.02   0.04    -0.14   0.08   0.06     0.16  -0.14  -0.01
    11   6    -0.01   0.11   0.13     0.04   0.14  -0.08    -0.05   0.01  -0.06
    12   6    -0.10   0.03   0.23     0.01  -0.01  -0.08     0.03  -0.02  -0.05
    13   6     0.14   0.02  -0.04     0.06   0.18   0.01     0.02   0.00  -0.01
    14   1    -0.10   0.12   0.17    -0.14   0.16  -0.24    -0.05   0.01  -0.09
    15   1    -0.07  -0.10   0.19     0.03  -0.11  -0.15     0.03   0.01   0.03
    16   1    -0.06  -0.07   0.16     0.01  -0.05  -0.10     0.09  -0.04  -0.10
    17   1    -0.20   0.02   0.42    -0.10  -0.01   0.04     0.07  -0.02  -0.05
    18   8     0.12  -0.08   0.01    -0.03  -0.04   0.08     0.02  -0.02   0.09
    19   8    -0.06   0.02  -0.20     0.03  -0.12   0.04     0.05  -0.03   0.00
    20   1     0.02   0.17  -0.42     0.24   0.56   0.18     0.07   0.05   0.06
    21   6    -0.01   0.01  -0.01    -0.05  -0.09   0.00    -0.20   0.26   0.02
    22   6     0.04  -0.01  -0.08     0.01  -0.08   0.01     0.10   0.14   0.02
    23   6     0.02  -0.01  -0.06     0.01  -0.07   0.01     0.09   0.12   0.00
    24   8     0.07  -0.02   0.03     0.01   0.06  -0.01     0.16  -0.10  -0.02
    25   6    -0.00   0.01   0.00     0.06   0.07  -0.00    -0.06  -0.01   0.00
    26   1    -0.02   0.05   0.07    -0.19   0.08   0.03    -0.01   0.07  -0.03
    27   1    -0.05  -0.04   0.06    -0.14  -0.18   0.01    -0.27   0.19  -0.00
    28   1     0.02  -0.01  -0.10     0.11  -0.10   0.04    -0.14   0.19   0.02
    29   1    -0.01  -0.00   0.01     0.10   0.09  -0.01    -0.21  -0.10   0.01
    30   1    -0.00   0.09  -0.03     0.06  -0.00   0.00    -0.03   0.27   0.01
    31   1    -0.07  -0.02   0.01     0.11   0.09  -0.01    -0.20  -0.09   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    541.2006               580.8898               602.8317
 Red. masses --      4.3388                 1.3160                 2.7651
 Frc consts  --      0.7488                 0.2616                 0.5920
 IR Inten    --      6.1101                55.5290                 1.3165
 RamAct Fr= 1--      2.7458                 1.2030                 1.6614
  Dep-P Fr= 1--      0.6759                 0.5076                 0.4963
  Dep-U Fr= 1--      0.8066                 0.6734                 0.6633
 Alpha2 Fr= 1--      0.0036                 0.0057                 0.0083
 Beta2  Fr= 1--      0.3691                 0.1350                 0.1837
 AlphaG Fr= 1--      0.0165                 0.0802                 0.0027
 Gamma2 Fr= 1--      1.5377                 1.0830                -0.2642
 Delta2 Fr= 1--      0.2535                 0.1943                -0.0067
 Raman1 Fr= 1--      10.983                  4.812                  6.646
 ROA1   Fr= 1--     155.734                110.185                -25.577
 CID1   Fr= 1--      14.179                 22.898                 -3.849
 Raman2 Fr= 1--       4.430                  1.620                  2.204
 ROA2   Fr= 1--      34.878                 24.438                 -6.287
 CID2   Fr= 1--       7.874                 15.084                 -2.852
 Raman3 Fr= 1--       8.859                  3.240                  4.408
 ROA3   Fr= 1--     155.734                110.185                -25.577
 CID3   Fr= 1--      17.578                 34.006                 -5.802
 RC180  Fr= 1--       0.613                  0.347                  0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07   0.00     0.01  -0.00  -0.01     0.02   0.00   0.10
     2   6     0.11   0.04   0.02     0.03  -0.01   0.00    -0.00   0.01  -0.16
     3   6     0.05  -0.05  -0.03     0.01   0.04   0.00     0.01   0.00   0.01
     4   6     0.06  -0.08   0.01    -0.02   0.02   0.02    -0.02  -0.00  -0.20
     5   6     0.20  -0.10  -0.03     0.01   0.02  -0.01     0.01  -0.01   0.01
     6   6     0.17   0.01  -0.01     0.03  -0.02   0.00     0.00  -0.00  -0.01
     7   6    -0.17  -0.01   0.02    -0.00  -0.03  -0.00     0.01  -0.01   0.05
     8   1     0.17  -0.08  -0.06     0.00   0.04  -0.02     0.04  -0.00   0.19
     9   1     0.20  -0.10  -0.07     0.05   0.05  -0.03     0.04  -0.02   0.41
    10   1     0.11   0.03  -0.03     0.05  -0.03   0.00     0.02  -0.01   0.36
    11   6     0.02  -0.08   0.07    -0.03  -0.09   0.03    -0.02   0.02   0.03
    12   6    -0.02  -0.00   0.05    -0.00  -0.00   0.01    -0.05   0.02   0.08
    13   6    -0.04  -0.07   0.01    -0.02  -0.05  -0.00     0.01  -0.05  -0.01
    14   1     0.05  -0.08   0.15     0.03  -0.09   0.04    -0.02   0.01   0.11
    15   1    -0.03   0.02   0.01    -0.02   0.07   0.06    -0.04  -0.02   0.04
    16   1    -0.07   0.05   0.11    -0.00   0.05   0.04    -0.07  -0.03   0.07
    17   1    -0.02   0.00  -0.02     0.06   0.00  -0.08    -0.09   0.02   0.15
    18   8    -0.01   0.03  -0.09     0.02   0.04  -0.02     0.04   0.00   0.01
    19   8    -0.04   0.07   0.00    -0.03  -0.04  -0.02     0.01   0.01  -0.03
    20   1    -0.18  -0.38  -0.09     0.29   0.92   0.02     0.05   0.11  -0.06
    21   6    -0.17  -0.07   0.01    -0.01  -0.00   0.00     0.00  -0.01  -0.06
    22   6    -0.09  -0.04  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.24
    23   6     0.04   0.01  -0.01     0.01   0.02   0.00     0.01   0.01  -0.02
    24   8    -0.14   0.14   0.02    -0.02   0.01   0.01    -0.02   0.01  -0.05
    25   6     0.08   0.08  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.30   0.03   0.04     0.00  -0.03   0.02    -0.03   0.00  -0.25
    27   1    -0.21  -0.11   0.03     0.01   0.02   0.04    -0.03   0.01  -0.54
    28   1     0.14  -0.02  -0.03     0.01   0.02   0.02    -0.00   0.01  -0.26
    29   1     0.23   0.16  -0.01     0.01   0.01  -0.00    -0.01  -0.02   0.01
    30   1     0.05  -0.20  -0.01    -0.00  -0.03  -0.00    -0.00  -0.03   0.02
    31   1     0.22   0.16  -0.02     0.01   0.00  -0.00     0.04   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --    641.7999               682.4313               694.9994
 Red. masses --      5.1592                 5.2859                 3.7677
 Frc consts  --      1.2521                 1.4504                 1.0723
 IR Inten    --      1.3005                 3.6626                 9.0598
 RamAct Fr= 1--      1.1722                 1.0798                 0.0600
  Dep-P Fr= 1--      0.7260                 0.1821                 0.4362
  Dep-U Fr= 1--      0.8412                 0.3080                 0.6074
 Alpha2 Fr= 1--      0.0005                 0.0154                 0.0004
 Beta2  Fr= 1--      0.1643                 0.0554                 0.0061
 AlphaG Fr= 1--     -0.0090                -0.0310                 0.0035
 Gamma2 Fr= 1--      0.2219                 0.1281                -0.2397
 Delta2 Fr= 1--     -0.3016                -0.0432                -0.1770
 Raman1 Fr= 1--       4.689                  4.319                  0.240
 ROA1   Fr= 1--      11.655                 10.919                -28.677
 CID1   Fr= 1--       2.486                  2.528               -119.518
 Raman2 Fr= 1--       1.972                  0.665                  0.073
 ROA2   Fr= 1--       7.739                  3.421                 -4.337
 CID2   Fr= 1--       3.924                  5.143                -59.511
 Raman3 Fr= 1--       3.944                  1.330                  0.146
 ROA3   Fr= 1--      11.655                 10.919                -28.677
 CID3   Fr= 1--       2.955                  8.207               -196.769
 RC180  Fr= 1--       0.682                 -0.384                  0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.03  -0.01    -0.06   0.02   0.07    -0.04   0.02  -0.11
     2   6     0.16   0.00   0.00    -0.06   0.03   0.04    -0.02   0.01  -0.03
     3   6     0.05   0.18   0.02    -0.07  -0.14   0.06    -0.06  -0.04  -0.06
     4   6    -0.15   0.02   0.01    -0.01  -0.03  -0.16    -0.00  -0.02   0.25
     5   6    -0.04  -0.05   0.02     0.16   0.00   0.06     0.08   0.01  -0.09
     6   6    -0.00  -0.18  -0.02     0.10   0.18  -0.09     0.08   0.08   0.10
     7   6     0.01  -0.12  -0.02     0.10   0.18  -0.10     0.08   0.10   0.12
     8   1     0.12   0.15  -0.02    -0.05  -0.14   0.13    -0.06  -0.05  -0.22
     9   1     0.10   0.09  -0.03     0.12  -0.05   0.28     0.05   0.02  -0.49
    10   1    -0.07  -0.15  -0.07     0.12   0.18  -0.09     0.09   0.07  -0.02
    11   6    -0.21   0.05  -0.10    -0.11   0.01  -0.04    -0.08  -0.04  -0.03
    12   6    -0.04   0.02   0.04    -0.05   0.02   0.07     0.01  -0.02  -0.03
    13   6    -0.00   0.04  -0.11    -0.09  -0.13  -0.09    -0.03   0.02  -0.05
    14   1    -0.29   0.06  -0.13    -0.06  -0.00   0.12    -0.08  -0.04  -0.09
    15   1    -0.03   0.06   0.35    -0.05   0.02   0.20    -0.01   0.08   0.19
    16   1     0.21  -0.10  -0.17     0.05  -0.08  -0.04     0.13   0.01  -0.09
    17   1     0.09   0.00   0.14    -0.02   0.01   0.18     0.15  -0.02  -0.11
    18   8    -0.02  -0.03   0.20    -0.01   0.05   0.11    -0.04   0.01   0.06
    19   8     0.15  -0.05  -0.09     0.10  -0.01  -0.07     0.05  -0.02  -0.04
    20   1     0.04  -0.28   0.13     0.10   0.08   0.13     0.03  -0.03   0.10
    21   6    -0.00  -0.07   0.01     0.15   0.01   0.06     0.08   0.01  -0.10
    22   6    -0.05  -0.00  -0.04    -0.02  -0.03  -0.16     0.01  -0.02   0.20
    23   6     0.12   0.11   0.00    -0.08  -0.12   0.05    -0.04  -0.07  -0.06
    24   8    -0.11   0.06   0.02    -0.07   0.01   0.03    -0.06   0.02  -0.02
    25   6    -0.01   0.00   0.00    -0.03  -0.06   0.00    -0.02  -0.04  -0.00
    26   1    -0.05  -0.10   0.03     0.13   0.17  -0.05     0.09   0.10   0.11
    27   1     0.08  -0.00   0.10     0.14  -0.03   0.35     0.04  -0.00  -0.41
    28   1     0.21   0.08   0.05    -0.03  -0.14   0.26    -0.04  -0.07  -0.31
    29   1     0.08   0.05  -0.00     0.03  -0.01  -0.01     0.01  -0.04   0.00
    30   1    -0.02  -0.14  -0.00    -0.03  -0.13  -0.00    -0.02  -0.10   0.00
    31   1     0.07   0.04  -0.01     0.01  -0.05  -0.01     0.03   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    748.6629               781.5258               791.4097
 Red. masses --      5.7687                 2.6690                 3.3700
 Frc consts  --      1.9050                 0.9605                 1.2436
 IR Inten    --      6.7702                 0.7127                 0.5641
 RamAct Fr= 1--     33.3816                 6.1200                21.2814
  Dep-P Fr= 1--      0.0554                 0.0928                 0.0898
  Dep-U Fr= 1--      0.1050                 0.1699                 0.1648
 Alpha2 Fr= 1--      0.6509                 0.1090                 0.3820
 Beta2  Fr= 1--      0.5842                 0.1733                 0.5845
 AlphaG Fr= 1--     -0.2832                -0.0842                 0.2392
 Gamma2 Fr= 1--     -1.5659                 0.5041                 1.4959
 Delta2 Fr= 1--      0.3122                 0.6232                 0.0447
 Raman1 Fr= 1--     133.526                 24.480                 85.126
 ROA1   Fr= 1--    -140.339                 68.333                145.035
 CID1   Fr= 1--      -1.051                  2.791                  1.704
 Raman2 Fr= 1--       7.011                  2.080                  7.014
 ROA2   Fr= 1--     -40.080                  7.112                 35.543
 CID2   Fr= 1--      -5.717                  3.420                  5.067
 Raman3 Fr= 1--      14.021                  4.159                 14.028
 ROA3   Fr= 1--    -140.339                 68.333                145.035
 CID3   Fr= 1--     -10.009                 16.428                 10.339
 RC180  Fr= 1--      -0.790                 -0.660                 -0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11   0.06     0.01  -0.04   0.20    -0.02  -0.06  -0.09
     2   6     0.05  -0.07  -0.03    -0.02   0.03  -0.20     0.02   0.07   0.11
     3   6    -0.08   0.12   0.00    -0.02  -0.03  -0.04    -0.08  -0.07   0.02
     4   6    -0.13   0.02  -0.04    -0.00  -0.01   0.09    -0.06  -0.02  -0.08
     5   6     0.01  -0.05  -0.02     0.01   0.03  -0.09     0.05   0.05   0.03
     6   6     0.04  -0.20  -0.03     0.03   0.09   0.05     0.04   0.19  -0.06
     7   6     0.09   0.28  -0.02    -0.00  -0.07  -0.03     0.01  -0.15   0.00
     8   1    -0.02   0.10   0.05    -0.07  -0.02  -0.35    -0.10  -0.06   0.26
     9   1     0.21   0.11   0.15    -0.00   0.01  -0.02     0.03   0.02   0.20
    10   1     0.04  -0.21   0.12     0.05   0.09   0.28     0.02   0.20   0.01
    11   6    -0.03  -0.05   0.01    -0.05  -0.06  -0.00    -0.12  -0.10  -0.02
    12   6     0.02  -0.03  -0.05    -0.01  -0.01   0.01    -0.04  -0.02   0.01
    13   6     0.18   0.15   0.14     0.04   0.07   0.01     0.12   0.14   0.07
    14   1    -0.12  -0.03  -0.22    -0.09  -0.05  -0.12    -0.23  -0.08  -0.27
    15   1    -0.00   0.07  -0.00    -0.04   0.10   0.13    -0.08   0.18   0.25
    16   1     0.02   0.08   0.00     0.03   0.07   0.02     0.07   0.12   0.02
    17   1     0.09  -0.02  -0.22     0.10  -0.01  -0.14     0.17  -0.01  -0.23
    18   8     0.09  -0.10  -0.10    -0.00  -0.02  -0.00     0.05  -0.07  -0.03
    19   8    -0.13   0.01   0.10    -0.01  -0.01  -0.00    -0.05  -0.01   0.04
    20   1    -0.10  -0.06  -0.28    -0.02  -0.06  -0.03    -0.05  -0.07  -0.16
    21   6     0.14   0.01   0.02     0.00  -0.01   0.10     0.01  -0.03  -0.05
    22   6     0.01  -0.04  -0.04    -0.01   0.01  -0.08    -0.01   0.01   0.02
    23   6     0.01  -0.12   0.01     0.01   0.03  -0.00     0.04   0.08   0.02
    24   8    -0.15   0.06   0.02     0.02  -0.01  -0.00     0.02  -0.01   0.00
    25   6    -0.05  -0.07   0.00     0.01   0.01  -0.00     0.00   0.01   0.00
    26   1     0.07   0.29  -0.09    -0.01  -0.07  -0.39     0.08  -0.17   0.18
    27   1     0.04  -0.08   0.03     0.03   0.03  -0.15     0.12   0.06   0.11
    28   1     0.05  -0.14   0.08     0.07   0.02   0.59     0.06   0.08  -0.39
    29   1     0.06  -0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    30   1    -0.06  -0.27   0.00     0.01   0.03   0.03     0.00   0.04  -0.02
    31   1     0.06  -0.02  -0.01    -0.01  -0.01  -0.01    -0.01   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.4460               827.9605               834.5613
 Red. masses --      2.7915                 1.4916                 1.7777
 Frc consts  --      1.0910                 0.6025                 0.7295
 IR Inten    --     13.6835                 9.1212                 9.6949
 RamAct Fr= 1--      3.0613                 0.4049                 0.6670
  Dep-P Fr= 1--      0.5921                 0.7447                 0.3122
  Dep-U Fr= 1--      0.7438                 0.8537                 0.4759
 Alpha2 Fr= 1--      0.0090                 0.0000                 0.0066
 Beta2  Fr= 1--      0.3795                 0.0576                 0.0529
 AlphaG Fr= 1--     -0.0055                 0.0023                -0.0801
 Gamma2 Fr= 1--      1.0252                -1.0904                -0.4716
 Delta2 Fr= 1--      0.4611                -0.2998                -0.3950
 Raman1 Fr= 1--      12.245                  1.620                  2.668
 ROA1   Fr= 1--     113.179               -114.274                -57.914
 CID1   Fr= 1--       9.243                -70.550                -21.706
 Raman2 Fr= 1--       4.554                  0.691                  0.635
 ROA2   Fr= 1--      20.917                -23.771                 -8.159
 CID2   Fr= 1--       4.593                -34.382                -12.852
 Raman3 Fr= 1--       9.108                  1.383                  1.270
 ROA3   Fr= 1--     113.179               -114.274                -57.914
 CID3   Fr= 1--      12.427                -82.642                -45.614
 RC180  Fr= 1--       0.488                  0.707                 -0.048
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.00    -0.01  -0.01   0.06     0.02   0.00   0.08
     2   6    -0.05  -0.06   0.05     0.01   0.02  -0.02    -0.02  -0.02  -0.06
     3   6     0.11   0.06  -0.03    -0.03  -0.01   0.01     0.04   0.02   0.03
     4   6     0.06  -0.01   0.02    -0.01   0.00   0.09     0.01  -0.00  -0.07
     5   6     0.00   0.04  -0.05    -0.01  -0.01  -0.09     0.01   0.01   0.04
     6   6     0.01  -0.03  -0.07    -0.01   0.00  -0.05     0.01  -0.00   0.06
     7   6    -0.03   0.05   0.01     0.00  -0.01  -0.06    -0.02   0.01  -0.09
     8   1     0.17   0.04   0.11    -0.07  -0.00  -0.30     0.05   0.02  -0.28
     9   1     0.06   0.05   0.39     0.02  -0.03   0.35    -0.01   0.02  -0.26
    10   1     0.16  -0.08   0.38     0.00   0.00   0.52     0.02  -0.01  -0.31
    11   6     0.04  -0.14   0.05     0.00   0.04  -0.01    -0.01  -0.04  -0.01
    12   6    -0.02  -0.02   0.08     0.02   0.00  -0.04    -0.02   0.00   0.04
    13   6    -0.01   0.16  -0.05    -0.01  -0.05  -0.00     0.02   0.04   0.01
    14   1    -0.00  -0.12  -0.14     0.03   0.04   0.08    -0.04  -0.03  -0.07
    15   1    -0.06   0.15   0.04     0.03  -0.05  -0.03    -0.04   0.05   0.05
    16   1    -0.14   0.22   0.28     0.05  -0.08  -0.10    -0.04   0.06   0.08
    17   1     0.07   0.01  -0.25    -0.02  -0.01   0.07     0.01   0.01  -0.05
    18   8    -0.10   0.00   0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
    19   8     0.07  -0.04  -0.09    -0.01   0.01   0.02     0.00  -0.01  -0.01
    20   1     0.02  -0.11   0.11    -0.01   0.01   0.00    -0.00  -0.02  -0.01
    21   6    -0.05   0.05   0.00     0.01  -0.01  -0.06    -0.03   0.02  -0.09
    22   6    -0.00   0.01  -0.04     0.00  -0.00   0.01     0.01   0.00   0.12
    23   6    -0.09  -0.08   0.05     0.03   0.02   0.06    -0.04  -0.02  -0.05
    24   8     0.04  -0.02   0.01    -0.01   0.01   0.00     0.01  -0.01  -0.03
    25   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    26   1    -0.06   0.06  -0.01     0.04  -0.02   0.34     0.02   0.00   0.55
    27   1    -0.09   0.01   0.05     0.06  -0.02   0.40     0.02  -0.00   0.53
    28   1    -0.22  -0.04  -0.30     0.02   0.02  -0.38    -0.06  -0.02   0.25
    29   1    -0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    30   1     0.02   0.06  -0.02    -0.01  -0.02  -0.01     0.01   0.03   0.02
    31   1    -0.02  -0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    867.9941               883.5904               915.1010
 Red. masses --      3.0791                 1.8318                 1.5449
 Frc consts  --      1.3668                 0.8426                 0.7623
 IR Inten    --      6.3848                34.2662                13.0548
 RamAct Fr= 1--     23.6625                 1.7286                 0.6915
  Dep-P Fr= 1--      0.0926                 0.4937                 0.1749
  Dep-U Fr= 1--      0.1695                 0.6610                 0.2977
 Alpha2 Fr= 1--      0.4219                 0.0088                 0.0100
 Beta2  Fr= 1--      0.6684                 0.1904                 0.0343
 AlphaG Fr= 1--      0.3182                -0.1196                -0.0406
 Gamma2 Fr= 1--      0.4470                -0.0142                -0.1061
 Delta2 Fr= 1--     -0.3727                 0.3502                 0.1087
 Raman1 Fr= 1--      94.650                  6.914                  2.766
 ROA1   Fr= 1--      30.988                  9.846                 -6.708
 CID1   Fr= 1--       0.327                  1.424                 -2.425
 Raman2 Fr= 1--       8.021                  2.285                  0.412
 ROA2   Fr= 1--      13.710                 -3.141                 -3.415
 CID2   Fr= 1--       1.709                 -1.374                 -8.295
 Raman3 Fr= 1--      16.042                  4.571                  0.824
 ROA3   Fr= 1--      30.988                  9.846                 -6.708
 CID3   Fr= 1--       1.932                  2.154                 -8.145
 RC180  Fr= 1--      -0.661                  0.322                 -0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.03     0.00   0.00  -0.05     0.01   0.00   0.09
     2   6    -0.08  -0.04  -0.01     0.00  -0.01   0.14    -0.01   0.00  -0.03
     3   6     0.16   0.08   0.01     0.01   0.01   0.00    -0.01   0.01  -0.17
     4   6     0.03  -0.03   0.02     0.00  -0.00   0.04     0.00  -0.00   0.07
     5   6     0.05  -0.01  -0.01     0.00  -0.00  -0.06     0.01  -0.01  -0.00
     6   6     0.03   0.01  -0.01    -0.00   0.00  -0.08     0.01   0.00   0.02
     7   6    -0.03  -0.01   0.02    -0.00  -0.00   0.02    -0.00  -0.00  -0.02
     8   1     0.31   0.03  -0.19     0.03   0.00   0.04     0.10  -0.01   0.90
     9   1     0.05  -0.00  -0.04     0.04  -0.01   0.45     0.01  -0.01  -0.02
    10   1     0.15  -0.02   0.06     0.03  -0.00   0.28    -0.01   0.01  -0.07
    11   6    -0.15   0.06  -0.10    -0.02   0.01  -0.00    -0.01   0.02   0.01
    12   6    -0.06   0.03  -0.03     0.00   0.00  -0.02     0.00  -0.00  -0.03
    13   6     0.04  -0.08   0.03     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    14   1    -0.23   0.06  -0.04    -0.03   0.01   0.02    -0.02   0.02   0.02
    15   1    -0.04   0.02   0.34     0.00  -0.01   0.04     0.01  -0.02   0.04
    16   1     0.27  -0.18  -0.34     0.05  -0.04  -0.07     0.06  -0.05  -0.09
    17   1     0.07  -0.00   0.20     0.01  -0.00   0.03     0.02  -0.01   0.02
    18   8     0.09  -0.02  -0.02     0.01  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.06   0.03   0.09    -0.01   0.00   0.01    -0.01   0.00   0.01
    20   1    -0.03   0.04  -0.09    -0.01  -0.00  -0.00     0.01   0.03   0.01
    21   6    -0.05   0.03   0.03    -0.01   0.00  -0.02    -0.00  -0.00  -0.04
    22   6    -0.03   0.02  -0.04     0.00   0.00   0.09    -0.00   0.00   0.02
    23   6    -0.15  -0.08   0.06    -0.03  -0.00  -0.17    -0.02  -0.00   0.01
    24   8     0.07  -0.05   0.00     0.01  -0.00  -0.02     0.01  -0.01  -0.01
    25   6     0.03   0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.11   0.02  -0.08    -0.01  -0.00   0.04    -0.02  -0.00  -0.01
    27   1    -0.06   0.04  -0.11    -0.00   0.00  -0.00     0.03  -0.00   0.31
    28   1    -0.33  -0.02  -0.20     0.04  -0.02   0.79    -0.03   0.00   0.02
    29   1    -0.04  -0.01   0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.05   0.15  -0.01     0.01   0.02   0.03     0.01   0.02   0.00
    31   1    -0.04  -0.01   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.1285               963.4878               974.7275
 Red. masses --      4.2768                 1.3055                 1.3530
 Frc consts  --      2.2700                 0.7140                 0.7574
 IR Inten    --     25.2590                 0.2282                 0.4546
 RamAct Fr= 1--      0.4519                 0.9814                 1.2415
  Dep-P Fr= 1--      0.7410                 0.7252                 0.3916
  Dep-U Fr= 1--      0.8512                 0.8407                 0.5628
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0095
 Beta2  Fr= 1--      0.0641                 0.1375                 0.1165
 AlphaG Fr= 1--     -0.0002                 0.0229                -0.1266
 Gamma2 Fr= 1--     -1.5873                -0.0865                -1.1431
 Delta2 Fr= 1--      0.5138                -0.0811                -0.1250
 Raman1 Fr= 1--       1.808                  3.925                  4.966
 ROA1   Fr= 1--    -135.944                -10.900               -113.739
 CID1   Fr= 1--     -75.209                 -2.777                -22.904
 Raman2 Fr= 1--       0.769                  1.650                  1.397
 ROA2   Fr= 1--     -42.207                 -1.428                -26.434
 CID2   Fr= 1--     -54.862                 -0.865                -18.916
 Raman3 Fr= 1--       1.539                  3.300                  2.795
 ROA3   Fr= 1--    -135.944                -10.900               -113.739
 CID3   Fr= 1--     -88.353                 -3.303                -40.694
 RC180  Fr= 1--       0.702                  0.681                  0.126
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07   0.00     0.00  -0.00   0.02     0.00  -0.01  -0.01
     2   6     0.09  -0.06  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.02
     3   6     0.08  -0.18  -0.03     0.00  -0.00  -0.03     0.01   0.01   0.02
     4   6     0.13  -0.02   0.01     0.00  -0.00   0.01    -0.01  -0.00   0.01
     5   6    -0.17   0.24   0.03    -0.00   0.00  -0.01    -0.01   0.00  -0.12
     6   6    -0.04  -0.01  -0.01     0.00   0.00   0.01     0.01   0.01   0.11
     7   6    -0.03   0.06   0.01    -0.01   0.00  -0.12     0.00  -0.01   0.02
     8   1     0.11  -0.19   0.08     0.02  -0.01   0.15     0.01   0.01  -0.06
     9   1    -0.26   0.17  -0.03     0.00   0.00   0.09     0.04  -0.02   0.69
    10   1     0.22  -0.08   0.08    -0.00   0.00  -0.06    -0.07   0.03  -0.67
    11   6    -0.04  -0.01  -0.08    -0.00   0.00   0.00    -0.01  -0.00   0.01
    12   6    -0.07   0.02   0.02     0.00  -0.00  -0.01     0.01   0.00  -0.02
    13   6     0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    14   1    -0.13   0.00  -0.11    -0.01   0.00   0.01    -0.03  -0.00   0.05
    15   1    -0.08   0.09   0.31     0.00  -0.00   0.01     0.01  -0.02  -0.02
    16   1     0.13  -0.03  -0.13     0.01  -0.01  -0.02     0.01  -0.03  -0.03
    17   1     0.07   0.01   0.09     0.00  -0.00   0.01    -0.02  -0.00   0.03
    18   8     0.02  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.02   0.01   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.02   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.12   0.16   0.00     0.01   0.00   0.10    -0.01   0.03  -0.01
    22   6     0.09  -0.04  -0.01     0.00  -0.00  -0.01     0.01  -0.00  -0.00
    23   6     0.17  -0.10  -0.02     0.00  -0.00  -0.00     0.01  -0.03   0.02
    24   8    -0.08   0.08   0.01    -0.00   0.00   0.01    -0.00   0.01   0.00
    25   6    -0.06  -0.06   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1     0.16   0.01  -0.06     0.07  -0.02   0.73     0.03  -0.02  -0.09
    27   1    -0.24   0.04   0.09    -0.06   0.02  -0.64    -0.00   0.04   0.04
    28   1     0.32  -0.15  -0.01     0.01  -0.01  -0.01     0.02  -0.03  -0.07
    29   1     0.07   0.01   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    30   1    -0.08  -0.26   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
    31   1     0.07   0.01  -0.01     0.00  -0.00   0.00     0.01   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.3063              1012.6412              1061.8872
 Red. masses --      3.3120                 1.7481                 4.7693
 Frc consts  --      1.8829                 1.0561                 3.1686
 IR Inten    --      0.6264                 6.9001                53.3683
 RamAct Fr= 1--     14.1895                 3.5379                 3.4689
  Dep-P Fr= 1--      0.1226                 0.2342                 0.3427
  Dep-U Fr= 1--      0.2185                 0.3795                 0.5105
 Alpha2 Fr= 1--      0.2349                 0.0438                 0.0312
 Beta2  Fr= 1--      0.5167                 0.2238                 0.2951
 AlphaG Fr= 1--      0.0549                 0.0388                 0.0048
 Gamma2 Fr= 1--      1.2437                -0.7078                 0.2206
 Delta2 Fr= 1--      0.3688                -1.3861                 0.0359
 Raman1 Fr= 1--      56.758                 14.151                 13.875
 ROA1   Fr= 1--     131.198               -112.298                 22.324
 CID1   Fr= 1--       2.312                 -7.935                  1.609
 Raman2 Fr= 1--       6.200                  2.685                  3.541
 ROA2   Fr= 1--      26.900                 -5.898                  5.006
 CID2   Fr= 1--       4.338                 -2.196                  1.414
 Raman3 Fr= 1--      12.401                  5.370                  7.083
 ROA3   Fr= 1--     131.198               -112.298                 22.324
 CID3   Fr= 1--      10.580                -20.911                  3.152
 RC180  Fr= 1--      -0.563                 -0.241                  0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.00     0.02   0.01  -0.00    -0.02   0.01   0.00
     2   6    -0.02  -0.02  -0.00     0.01  -0.02  -0.00    -0.04  -0.04   0.00
     3   6    -0.01  -0.16  -0.00     0.01  -0.03   0.01     0.02   0.04  -0.00
     4   6     0.08   0.01   0.00    -0.05  -0.06  -0.02     0.01  -0.01  -0.00
     5   6    -0.04   0.14  -0.03    -0.02   0.10   0.02     0.01  -0.02  -0.00
     6   6     0.01  -0.13   0.03     0.03   0.01  -0.01     0.00   0.03   0.00
     7   6    -0.00   0.12   0.00    -0.01   0.01   0.00    -0.08  -0.06   0.01
     8   1    -0.01  -0.17   0.00     0.12  -0.07  -0.05     0.06   0.03   0.00
     9   1     0.07   0.21   0.21     0.04   0.17  -0.08    -0.05  -0.08   0.00
    10   1     0.25  -0.21  -0.20     0.22  -0.04   0.01     0.04   0.02  -0.00
    11   6     0.00   0.00  -0.05    -0.06  -0.06   0.11     0.00  -0.01  -0.01
    12   6    -0.05  -0.00   0.03     0.08   0.03  -0.10    -0.01   0.01   0.00
    13   6    -0.00  -0.02  -0.00     0.02   0.06   0.02     0.00   0.00  -0.00
    14   1     0.06   0.00  -0.15    -0.39  -0.04   0.47    -0.02  -0.01   0.02
    15   1    -0.07   0.12   0.22     0.15  -0.31  -0.33     0.00  -0.02   0.02
    16   1     0.06   0.06  -0.00    -0.02  -0.24  -0.18     0.01  -0.02  -0.03
    17   1     0.10  -0.01  -0.06    -0.20   0.02   0.27    -0.01   0.01   0.05
    18   8     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.00  -0.00  -0.00
    19   8    -0.01   0.00   0.02     0.01  -0.01  -0.03    -0.00  -0.00   0.00
    20   1    -0.01   0.00   0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    21   6     0.08  -0.22  -0.01     0.00  -0.02  -0.00     0.03  -0.12  -0.01
    22   6    -0.07   0.01   0.00    -0.01   0.00   0.00     0.18   0.11  -0.01
    23   6    -0.02   0.22   0.01    -0.01   0.02   0.00    -0.03   0.06   0.00
    24   8     0.03  -0.05  -0.00     0.00  -0.01  -0.00     0.10   0.30  -0.00
    25   6     0.04   0.05  -0.00     0.01   0.01  -0.00    -0.11  -0.33   0.00
    26   1    -0.36   0.23   0.03    -0.07   0.03   0.00    -0.33   0.01   0.03
    27   1    -0.03  -0.33  -0.01     0.00  -0.02   0.00    -0.20  -0.35   0.01
    28   1    -0.15   0.26   0.00    -0.05   0.03   0.01    -0.43   0.18   0.04
    29   1    -0.03   0.01  -0.00    -0.00   0.00  -0.00    -0.12  -0.25  -0.02
    30   1     0.05   0.15  -0.00     0.01   0.02  -0.00    -0.09  -0.16   0.00
    31   1    -0.03   0.01   0.01    -0.00   0.00   0.00    -0.11  -0.25   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.0324              1103.9385              1151.3295
 Red. masses --      1.7766                 2.5878                 1.4719
 Frc consts  --      1.2414                 1.8581                 1.1496
 IR Inten    --     15.3404                10.1019                13.3744
 RamAct Fr= 1--      2.4420                 7.5764                 0.5329
  Dep-P Fr= 1--      0.1775                 0.3193                 0.7409
  Dep-U Fr= 1--      0.3015                 0.4841                 0.8512
 Alpha2 Fr= 1--      0.0352                 0.0733                 0.0001
 Beta2  Fr= 1--      0.1227                 0.6113                 0.0756
 AlphaG Fr= 1--     -0.0426                 0.0681                -0.0007
 Gamma2 Fr= 1--      0.8095                -0.5626                 0.6212
 Delta2 Fr= 1--      0.0508                 0.9048                 1.2712
 Raman1 Fr= 1--       9.768                 30.305                  2.132
 ROA1   Fr= 1--      79.338                -25.056                100.316
 CID1   Fr= 1--       8.122                 -0.827                 47.063
 Raman2 Fr= 1--       1.473                  7.335                  0.907
 ROA2   Fr= 1--      19.022                -20.740                  4.740
 CID2   Fr= 1--      12.918                 -2.827                  5.225
 Raman3 Fr= 1--       2.945                 14.671                  1.814
 ROA3   Fr= 1--      79.338                -25.056                100.316
 CID3   Fr= 1--      26.940                 -1.708                 55.291
 RC180  Fr= 1--      -0.397                 -0.032                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.03   0.02  -0.00     0.00   0.08   0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.05  -0.00
     3   6     0.01   0.00   0.01     0.03  -0.05   0.00    -0.03  -0.06   0.00
     4   6     0.06   0.05  -0.05    -0.04  -0.01  -0.02    -0.02  -0.01  -0.00
     5   6     0.01  -0.05   0.01    -0.02   0.03   0.01     0.01   0.04   0.00
     6   6    -0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.01  -0.06   0.00
     7   6     0.01   0.01  -0.00    -0.00  -0.02  -0.00    -0.05  -0.06   0.00
     8   1    -0.12   0.04  -0.05     0.24  -0.12  -0.06     0.10  -0.11  -0.02
     9   1    -0.04  -0.10  -0.03     0.04   0.09  -0.00     0.21   0.22  -0.01
    10   1    -0.12   0.01   0.00     0.08  -0.03  -0.01    -0.07  -0.04   0.00
    11   6     0.03  -0.01   0.13    -0.11   0.20   0.15     0.04  -0.01  -0.00
    12   6    -0.10  -0.02  -0.11     0.06  -0.15  -0.06    -0.02   0.01  -0.00
    13   6     0.00   0.06   0.07    -0.04  -0.08   0.11     0.00   0.01  -0.02
    14   1     0.27  -0.04   0.32    -0.09   0.20  -0.17     0.15  -0.02   0.04
    15   1    -0.09   0.07   0.49    -0.03   0.21  -0.14    -0.02   0.01   0.09
    16   1     0.37  -0.13  -0.45    -0.04   0.25   0.19     0.05  -0.01  -0.05
    17   1     0.29  -0.06   0.04     0.20  -0.12  -0.62     0.04  -0.00   0.03
    18   8    -0.04   0.01  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    19   8     0.03  -0.01  -0.05     0.04   0.00  -0.07    -0.01   0.00   0.01
    20   1     0.03  -0.01  -0.06     0.07  -0.01  -0.27    -0.01   0.00   0.07
    21   6    -0.00  -0.00   0.00    -0.02   0.01   0.00     0.04   0.03  -0.00
    22   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.04  -0.00   0.00
    23   6     0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.07  -0.00
    24   8    -0.00  -0.00   0.00     0.01   0.02  -0.00     0.04   0.04  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.02  -0.00     0.00  -0.04  -0.00
    26   1     0.04   0.00  -0.00    -0.05  -0.00   0.00    -0.41   0.05   0.04
    27   1    -0.05  -0.05   0.00     0.01   0.03   0.00     0.55   0.52  -0.03
    28   1     0.04  -0.00  -0.00    -0.01  -0.02   0.00     0.12  -0.11  -0.01
    29   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
    30   1    -0.00  -0.01   0.00    -0.00   0.00   0.00     0.02   0.09   0.00
    31   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.04   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.0385              1175.9684              1183.7967
 Red. masses --      1.2768                 2.2389                 1.3156
 Frc consts  --      1.0369                 1.8242                 1.0862
 IR Inten    --      0.8435                36.6029                 6.7018
 RamAct Fr= 1--      0.9968                18.1477                 3.8940
  Dep-P Fr= 1--      0.7478                 0.5351                 0.7325
  Dep-U Fr= 1--      0.8557                 0.6971                 0.8456
 Alpha2 Fr= 1--      0.0000                 0.0753                 0.0012
 Beta2  Fr= 1--      0.1422                 2.1085                 0.5488
 AlphaG Fr= 1--     -0.0075                -0.0036                 0.0020
 Gamma2 Fr= 1--     -0.0624                -6.4341                 0.2976
 Delta2 Fr= 1--     -0.0176                -1.9400                 0.3339
 Raman1 Fr= 1--       3.987                 72.591                 15.576
 ROA1   Fr= 1--      -6.548               -679.750                 39.253
 CID1   Fr= 1--      -1.642                 -9.364                  2.520
 Raman2 Fr= 1--       1.706                 25.302                  6.585
 ROA2   Fr= 1--      -1.356               -138.898                  4.471
 CID2   Fr= 1--      -0.795                 -5.490                  0.679
 Raman3 Fr= 1--       3.412                 50.605                 13.171
 ROA3   Fr= 1--      -6.548               -679.750                 39.253
 CID3   Fr= 1--      -1.919                -13.433                  2.980
 RC180  Fr= 1--       0.711                  0.394                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.02  -0.00
     2   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.01   0.07   0.00
     3   6     0.00  -0.00  -0.00    -0.02   0.02  -0.01     0.01  -0.05  -0.00
     4   6    -0.00   0.00   0.00     0.07   0.00   0.02     0.01   0.02   0.01
     5   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.06   0.03  -0.01
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.06  -0.05   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.01   0.00     0.02   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.24   0.10   0.06    -0.06  -0.03   0.01
     9   1     0.00   0.00  -0.00    -0.11  -0.11   0.03     0.53   0.44  -0.03
    10   1     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.53   0.09   0.05
    11   6    -0.00   0.00   0.00    -0.00  -0.05  -0.10    -0.01  -0.02  -0.02
    12   6     0.00  -0.00  -0.00     0.00   0.07   0.02     0.01   0.02   0.01
    13   6     0.00   0.00  -0.00    -0.04  -0.04   0.25    -0.00  -0.00   0.03
    14   1     0.00  -0.00   0.00    -0.23  -0.02  -0.31    -0.06  -0.01  -0.03
    15   1    -0.00   0.00  -0.00     0.04  -0.10  -0.06     0.02  -0.04  -0.04
    16   1    -0.00   0.00   0.00    -0.05  -0.09  -0.04    -0.03  -0.03   0.00
    17   1     0.00  -0.00  -0.00    -0.14   0.06   0.21    -0.04   0.02   0.04
    18   8     0.00  -0.00   0.00    -0.06   0.03  -0.02    -0.00   0.00  -0.00
    19   8    -0.00   0.00   0.00     0.08  -0.02  -0.07     0.01  -0.00  -0.01
    20   1    -0.00  -0.00   0.00     0.16  -0.02  -0.65     0.02  -0.00  -0.07
    21   6     0.00  -0.00   0.00     0.02   0.00  -0.00    -0.03   0.01   0.00
    22   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.02   0.00
    23   6     0.00   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.00   0.00
    24   8    -0.01   0.00  -0.06     0.00   0.00  -0.00     0.02   0.02  -0.00
    25   6     0.01  -0.00   0.14    -0.00  -0.00   0.00     0.00  -0.03  -0.00
    26   1     0.00  -0.00  -0.00    -0.21   0.07   0.02     0.25  -0.07  -0.02
    27   1    -0.00  -0.00  -0.01     0.18   0.15  -0.01    -0.25  -0.19   0.02
    28   1    -0.00   0.00  -0.02     0.02  -0.01  -0.00     0.06  -0.03  -0.01
    29   1     0.17   0.62  -0.18     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    30   1    -0.02   0.01  -0.28     0.00   0.01  -0.00     0.01   0.06   0.00
    31   1    -0.20  -0.62  -0.17     0.00   0.00   0.00    -0.02  -0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1192.3048              1205.0676              1224.6997
 Red. masses --      1.4867                 1.5172                 1.7611
 Frc consts  --      1.2452                 1.2982                 1.5563
 IR Inten    --     16.3939                37.9711                63.2354
 RamAct Fr= 1--      1.8031                50.9208                16.2196
  Dep-P Fr= 1--      0.7494                 0.1802                 0.2137
  Dep-U Fr= 1--      0.8568                 0.3053                 0.3521
 Alpha2 Fr= 1--      0.0000                 0.7285                 0.2124
 Beta2  Fr= 1--      0.2575                 2.5914                 0.9519
 AlphaG Fr= 1--      0.0000                -0.0022                -0.0144
 Gamma2 Fr= 1--      2.9324                 1.5434                -0.1052
 Delta2 Fr= 1--     -0.9640                 1.8819                 0.0421
 Raman1 Fr= 1--       7.212                203.683                 64.878
 ROA1   Fr= 1--     250.662                208.385                 -8.756
 CID1   Fr= 1--      34.754                  1.023                 -0.135
 Raman2 Fr= 1--       3.090                 31.097                 11.423
 ROA2   Fr= 1--      78.090                 21.986                 -2.862
 CID2   Fr= 1--      25.274                  0.707                 -0.251
 Raman3 Fr= 1--       6.179                 62.193                 22.846
 ROA3   Fr= 1--     250.662                208.385                 -8.756
 CID3   Fr= 1--      40.564                  3.351                 -0.383
 RC180  Fr= 1--       0.714                 -0.389                 -0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.01    -0.03   0.04   0.00     0.03  -0.00  -0.00
     2   6    -0.08   0.05   0.01     0.02  -0.02  -0.00     0.12  -0.06  -0.01
     3   6     0.02  -0.01  -0.00    -0.01  -0.02  -0.00    -0.03  -0.00   0.00
     4   6    -0.06   0.01   0.01    -0.10  -0.03   0.01    -0.05  -0.04   0.00
     5   6    -0.03  -0.02   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
     6   6     0.05  -0.03  -0.00     0.00   0.03   0.00    -0.00   0.06   0.00
     7   6     0.04  -0.03  -0.00     0.00  -0.04  -0.00    -0.01   0.01   0.00
     8   1     0.41  -0.13  -0.03     0.49  -0.18  -0.04     0.11  -0.05  -0.01
     9   1    -0.01  -0.00   0.01     0.12   0.15  -0.00    -0.07  -0.00   0.01
    10   1     0.38  -0.14  -0.04    -0.06   0.05   0.01    -0.23   0.13   0.02
    11   6     0.03  -0.01  -0.03     0.07  -0.00  -0.03     0.04   0.01  -0.00
    12   6    -0.01   0.03   0.01    -0.02   0.03   0.01    -0.02   0.01  -0.00
    13   6    -0.00   0.01   0.04    -0.01   0.00   0.05    -0.00  -0.00   0.02
    14   1     0.20  -0.03  -0.04     0.31  -0.02  -0.08     0.13   0.00  -0.05
    15   1     0.01  -0.03   0.01    -0.01  -0.02   0.05    -0.01   0.01   0.04
    16   1     0.01  -0.03  -0.03     0.04  -0.03  -0.06     0.04   0.00  -0.03
    17   1    -0.02   0.02   0.08     0.02   0.02   0.09     0.03   0.00   0.02
    18   8    -0.02   0.01  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
    19   8     0.01  -0.01  -0.01     0.02  -0.01  -0.01     0.01  -0.00  -0.01
    20   1     0.03  -0.01  -0.12     0.03  -0.01  -0.12     0.01  -0.00  -0.02
    21   6    -0.03  -0.02   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    22   6    -0.05   0.02   0.00     0.08   0.02  -0.01     0.02   0.00  -0.00
    23   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.01   0.03   0.00    -0.01  -0.05  -0.00    -0.11   0.01   0.01
    25   6     0.04  -0.04  -0.00    -0.06   0.06   0.01     0.13  -0.01  -0.01
    26   1     0.42  -0.15  -0.04     0.10  -0.08  -0.01    -0.01   0.01   0.00
    27   1    -0.10  -0.09   0.01    -0.02  -0.05   0.00    -0.05  -0.05   0.00
    28   1     0.39  -0.12  -0.04    -0.40   0.13   0.04    -0.41   0.09   0.04
    29   1    -0.14  -0.08  -0.02     0.19   0.11   0.04    -0.35  -0.17  -0.05
    30   1     0.07   0.29   0.00    -0.11  -0.43  -0.00     0.18   0.55  -0.00
    31   1    -0.13  -0.08   0.04     0.19   0.11  -0.07    -0.34  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1268.2530              1283.2225              1299.5873
 Red. masses --      3.6075                 1.5270                 1.6895
 Frc consts  --      3.4187                 1.4815                 1.6812
 IR Inten    --     92.4369                32.8616                56.7176
 RamAct Fr= 1--      3.7038                 4.4034                 3.7441
  Dep-P Fr= 1--      0.2090                 0.7494                 0.7319
  Dep-U Fr= 1--      0.3457                 0.8568                 0.8452
 Alpha2 Fr= 1--      0.0491                 0.0000                 0.0012
 Beta2  Fr= 1--      0.2134                 0.6288                 0.5274
 AlphaG Fr= 1--      0.0203                 0.0004                -0.0026
 Gamma2 Fr= 1--      0.0145                -4.1251                10.2454
 Delta2 Fr= 1--     -0.1328                -0.4234                -0.5117
 Raman1 Fr= 1--      14.815                 17.613                 14.976
 ROA1   Fr= 1--      -2.857               -409.559                967.184
 CID1   Fr= 1--      -0.193                -23.253                 64.580
 Raman2 Fr= 1--       2.561                  7.545                  6.329
 ROA2   Fr= 1--       1.411                -95.615                249.983
 CID2   Fr= 1--       0.551                -12.672                 39.499
 Raman3 Fr= 1--       5.122                 15.091                 12.658
 ROA3   Fr= 1--      -2.857               -409.559                967.184
 CID3   Fr= 1--      -0.558                -27.140                 76.411
 RC180  Fr= 1--      -0.309                  0.714                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24  -0.08  -0.02     0.03  -0.06  -0.00    -0.00   0.10   0.00
     2   6     0.09  -0.02  -0.01    -0.02  -0.03   0.00     0.10   0.08  -0.01
     3   6    -0.07   0.01   0.01     0.03  -0.04  -0.01    -0.04  -0.03   0.00
     4   6    -0.19  -0.14   0.01    -0.00   0.07   0.01     0.06   0.02  -0.00
     5   6    -0.02   0.01   0.00     0.01  -0.02  -0.00    -0.02   0.02   0.00
     6   6     0.00   0.07   0.00    -0.00   0.01  -0.00     0.02  -0.06  -0.00
     7   6     0.01   0.07   0.00     0.01   0.02   0.00    -0.01  -0.02   0.00
     8   1    -0.30   0.07   0.02     0.13  -0.08   0.00    -0.17   0.01   0.02
     9   1    -0.03   0.01   0.01    -0.06  -0.07  -0.00    -0.20  -0.14   0.01
    10   1     0.44  -0.06  -0.04    -0.16   0.06   0.02     0.08  -0.08  -0.01
    11   6     0.10   0.03  -0.00    -0.14  -0.01  -0.05    -0.03   0.00  -0.04
    12   6    -0.03   0.01   0.00     0.05  -0.00   0.02     0.01  -0.03   0.01
    13   6    -0.01   0.00   0.00     0.03   0.05  -0.03     0.01   0.02  -0.04
    14   1     0.45   0.00  -0.09     0.65  -0.09   0.36    -0.02  -0.01   0.35
    15   1    -0.02   0.00   0.07     0.03   0.01  -0.13    -0.02   0.07   0.00
    16   1     0.09   0.01  -0.07    -0.10  -0.02   0.09    -0.03   0.05   0.08
    17   1     0.08   0.00   0.04    -0.13   0.01  -0.03    -0.02  -0.02  -0.06
    18   8    -0.02   0.01  -0.00    -0.02  -0.00   0.01    -0.02   0.00   0.01
    19   8     0.01  -0.00   0.01     0.01  -0.01   0.04     0.01  -0.01   0.04
    20   1     0.04   0.00  -0.17     0.07  -0.00  -0.40     0.06   0.01  -0.35
    21   6    -0.03   0.06   0.00    -0.00   0.01   0.00    -0.02  -0.01   0.00
    22   6    -0.15  -0.11   0.01     0.00   0.02  -0.00    -0.04  -0.07   0.00
    23   6    -0.11   0.04   0.01     0.01  -0.00  -0.00    -0.05  -0.02   0.00
    24   8     0.12   0.05  -0.01    -0.01  -0.01   0.00     0.04   0.02  -0.00
    25   6    -0.04  -0.05   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
    26   1    -0.06   0.11   0.01    -0.30   0.12   0.03     0.52  -0.19  -0.05
    27   1    -0.27  -0.14   0.02    -0.03  -0.02   0.00     0.09   0.10  -0.01
    28   1     0.22  -0.06  -0.02     0.11  -0.03  -0.01    -0.48   0.11   0.04
    29   1     0.13   0.07  -0.01    -0.01  -0.00  -0.00     0.03   0.02  -0.01
    30   1    -0.03   0.01   0.00     0.00   0.01  -0.00    -0.01  -0.02   0.00
    31   1     0.13   0.07  -0.01    -0.01  -0.00   0.00     0.03   0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1300.7338              1310.2521              1340.6064
 Red. masses --      2.1450                 1.6817                 1.7868
 Frc consts  --      2.1382                 1.7011                 1.8921
 IR Inten    --    108.0492               120.2947               119.6299
 RamAct Fr= 1--      1.8089                 5.3211                 4.6537
  Dep-P Fr= 1--      0.7499                 0.6341                 0.7213
  Dep-U Fr= 1--      0.8571                 0.7761                 0.8381
 Alpha2 Fr= 1--      0.0000                 0.0112                 0.0023
 Beta2  Fr= 1--      0.2584                 0.6883                 0.6500
 AlphaG Fr= 1--     -0.0000                -0.0278                -0.0002
 Gamma2 Fr= 1--      2.1884                -6.5745                -0.1577
 Delta2 Fr= 1--     -0.1345                -0.4457                 0.8621
 Raman1 Fr= 1--       7.236                 21.284                 18.615
 ROA1   Fr= 1--     205.785               -645.415                 12.450
 CID1   Fr= 1--      28.440                -30.323                  0.669
 Raman2 Fr= 1--       3.101                  8.259                  7.800
 ROA2   Fr= 1--      53.599               -154.223                -10.682
 CID2   Fr= 1--      17.286                -18.673                 -1.369
 Raman3 Fr= 1--       6.202                 16.518                 15.601
 ROA3   Fr= 1--     205.785               -645.415                 12.450
 CID3   Fr= 1--      33.183                -39.072                  0.798
 RC180  Fr= 1--       0.714                  0.552                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.08   0.01     0.05   0.03  -0.00     0.01  -0.01  -0.00
     2   6     0.07  -0.12  -0.01     0.04   0.06  -0.00     0.00  -0.01   0.00
     3   6     0.01   0.05   0.00    -0.01  -0.06  -0.00    -0.01   0.02  -0.00
     4   6     0.03   0.02  -0.00     0.02   0.07   0.00    -0.01  -0.03   0.02
     5   6     0.02   0.03  -0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.03   0.00     0.02  -0.04  -0.00    -0.01   0.01   0.00
     7   6    -0.04   0.09   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1     0.56  -0.12  -0.05    -0.11  -0.04   0.01     0.02   0.01   0.04
     9   1    -0.20  -0.16   0.01    -0.16  -0.15   0.01     0.03   0.03   0.01
    10   1    -0.47   0.18   0.05     0.06  -0.05  -0.00     0.04  -0.00  -0.00
    11   6    -0.02  -0.01   0.02    -0.11  -0.02   0.03     0.02   0.03  -0.17
    12   6     0.01   0.01  -0.01     0.04   0.05  -0.01    -0.02  -0.06   0.05
    13   6    -0.00  -0.01   0.01    -0.00   0.01   0.09     0.00   0.02   0.15
    14   1    -0.06   0.00  -0.11     0.44  -0.06  -0.39    -0.07   0.02   0.77
    15   1     0.01  -0.01  -0.00     0.07  -0.10  -0.11    -0.07   0.15  -0.04
    16   1    -0.01  -0.02  -0.01    -0.07  -0.12  -0.04     0.03   0.11   0.09
    17   1    -0.02   0.01   0.02    -0.14   0.05   0.11     0.03  -0.04  -0.18
    18   8     0.01  -0.00  -0.00     0.04  -0.02  -0.02     0.02  -0.01  -0.03
    19   8    -0.01   0.00  -0.02    -0.02   0.01  -0.08    -0.01   0.00  -0.08
    20   1    -0.03   0.00   0.14    -0.12  -0.01   0.62    -0.08   0.01   0.48
    21   6     0.01  -0.02  -0.00    -0.02   0.01   0.00     0.00   0.00  -0.00
    22   6    -0.14  -0.10   0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.07   0.00    -0.03  -0.03   0.00    -0.00   0.01   0.00
    24   8     0.09   0.04  -0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    25   6    -0.03  -0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.25   0.00  -0.02     0.06  -0.03  -0.00    -0.01   0.00   0.00
    27   1     0.24   0.20  -0.02    -0.04  -0.01   0.00    -0.01  -0.01   0.00
    28   1     0.07   0.04  -0.01    -0.20   0.02   0.02     0.05  -0.01  -0.00
    29   1     0.10   0.06  -0.02     0.01   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.06   0.00    -0.00  -0.02   0.00    -0.00   0.01   0.00
    31   1     0.10   0.06   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1382.2804              1409.2473              1417.2823
 Red. masses --      1.8367                 4.9484                 1.3618
 Frc consts  --      2.0677                 5.7901                 1.6117
 IR Inten    --      7.9560                 3.9000                11.6619
 RamAct Fr= 1--     17.9216               667.2126                57.4685
  Dep-P Fr= 1--      0.2719                 0.2236                 0.1707
  Dep-U Fr= 1--      0.4275                 0.3654                 0.2916
 Alpha2 Fr= 1--      0.1996                 8.5056                 0.8426
 Beta2  Fr= 1--      1.2770                40.6370                 2.7930
 AlphaG Fr= 1--      0.1080                -1.5782                -0.0698
 Gamma2 Fr= 1--      1.4826                -8.2146                -0.0235
 Delta2 Fr= 1--     -0.2236                 1.4849                 0.0876
 Raman1 Fr= 1--      71.686               2668.850                229.874
 ROA1   Fr= 1--     135.176               -741.085                  0.548
 CID1   Fr= 1--       1.886                 -0.278                  0.002
 Raman2 Fr= 1--      15.324                487.643                 33.516
 ROA2   Fr= 1--      37.371               -209.030                 -1.265
 CID2   Fr= 1--       2.439                 -0.429                 -0.038
 Raman3 Fr= 1--      30.647                975.287                 67.031
 ROA3   Fr= 1--     135.176               -741.085                  0.548
 CID3   Fr= 1--       4.411                 -0.760                  0.008
 RC180  Fr= 1--      -0.145                 -0.269                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.00     0.09   0.28  -0.00    -0.00  -0.05  -0.00
     2   6     0.07   0.00  -0.01    -0.08  -0.28   0.00     0.01   0.05   0.00
     3   6    -0.09  -0.04   0.01    -0.16   0.06   0.02    -0.01   0.01   0.00
     4   6    -0.01   0.08   0.00     0.12  -0.18  -0.01    -0.00   0.01  -0.00
     5   6     0.01   0.04   0.00     0.17   0.10  -0.01     0.01  -0.01  -0.00
     6   6     0.06  -0.05  -0.01    -0.19   0.04   0.02    -0.01  -0.01   0.00
     7   6     0.06  -0.07  -0.01     0.03  -0.06  -0.00    -0.04   0.00   0.00
     8   1     0.24  -0.15  -0.02    -0.12   0.06   0.01     0.13  -0.03  -0.01
     9   1    -0.36  -0.30   0.02    -0.01  -0.08  -0.01     0.02   0.00  -0.01
    10   1    -0.33   0.07   0.03    -0.04  -0.02   0.01     0.11  -0.05  -0.01
    11   6     0.05  -0.02  -0.01    -0.08   0.01   0.01     0.00   0.00  -0.00
    12   6    -0.00  -0.01  -0.01     0.04  -0.01  -0.05     0.05  -0.04  -0.11
    13   6    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01   0.00   0.01
    14   1    -0.31   0.02   0.04     0.40  -0.03  -0.04    -0.03   0.01   0.03
    15   1    -0.01   0.04   0.07     0.01   0.12   0.21     0.00   0.20   0.54
    16   1    -0.01   0.06   0.04    -0.20   0.04   0.12    -0.40   0.26   0.33
    17   1     0.01  -0.02   0.06    -0.19  -0.00   0.16    -0.23  -0.05   0.45
    18   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    19   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    20   1     0.01   0.00  -0.02    -0.00   0.01   0.01    -0.00  -0.00   0.02
    21   6     0.02   0.03  -0.00    -0.05  -0.05   0.00     0.03   0.03  -0.00
    22   6    -0.05   0.12   0.01    -0.00   0.07   0.00     0.04  -0.05  -0.00
    23   6    -0.07  -0.06   0.00     0.07   0.02  -0.01    -0.03   0.02   0.00
    24   8     0.02  -0.02  -0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
    25   6    -0.02  -0.00   0.00    -0.01   0.00   0.00     0.01   0.01  -0.00
    26   1    -0.27   0.03   0.02     0.35  -0.16  -0.03    -0.03  -0.00   0.00
    27   1    -0.33  -0.31   0.02     0.01   0.01  -0.00    -0.01  -0.01   0.00
    28   1     0.25  -0.17  -0.03     0.34  -0.06  -0.03     0.01   0.01  -0.00
    29   1     0.08   0.03   0.01     0.03   0.01   0.00    -0.04  -0.03   0.01
    30   1    -0.02   0.01   0.00    -0.00   0.03   0.00     0.01  -0.03  -0.00
    31   1     0.07   0.03  -0.03     0.02   0.01  -0.01    -0.04  -0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1425.7671              1457.1558              1476.5356
 Red. masses --      2.9438                 3.4638                 1.2342
 Frc consts  --      3.5258                 4.3332                 1.5854
 IR Inten    --     72.5546                12.1027                 6.9391
 RamAct Fr= 1--     66.4321               128.6156                11.4992
  Dep-P Fr= 1--      0.1970                 0.2638                 0.6369
  Dep-U Fr= 1--      0.3291                 0.4175                 0.7781
 Alpha2 Fr= 1--      0.9095                 1.4660                 0.0236
 Beta2  Fr= 1--      3.6437                 8.9496                 1.4913
 AlphaG Fr= 1--     -0.0084                 0.3093                -0.0133
 Gamma2 Fr= 1--     -0.0286                 0.0345                -1.9387
 Delta2 Fr= 1--     -2.6050                 0.6644                -0.8453
 Raman1 Fr= 1--     265.728                514.462                 45.997
 ROA1   Fr= 1--     -86.109                 24.569               -213.160
 CID1   Fr= 1--      -0.324                  0.048                 -4.634
 Raman2 Fr= 1--      43.725                107.395                 17.896
 ROA2   Fr= 1--      20.153                 -4.488                -39.766
 CID2   Fr= 1--       0.461                 -0.042                 -2.222
 Raman3 Fr= 1--      87.450                214.790                 35.792
 ROA3   Fr= 1--     -86.109                 24.569               -213.160
 CID3   Fr= 1--      -0.985                  0.114                 -5.955
 RC180  Fr= 1--      -0.342                 -0.165                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.17   0.00  -0.01    -0.02  -0.00   0.00
     2   6     0.03   0.08  -0.00    -0.17  -0.01   0.01     0.00   0.02   0.00
     3   6    -0.11   0.06   0.01    -0.10  -0.06   0.01    -0.02   0.01   0.00
     4   6     0.08  -0.02  -0.01    -0.06   0.18   0.01     0.03   0.01  -0.00
     5   6     0.12   0.05  -0.01     0.11  -0.04  -0.01     0.01  -0.02  -0.00
     6   6    -0.12  -0.06   0.01    -0.08  -0.01   0.01    -0.04   0.01   0.00
     7   6    -0.13  -0.03   0.01     0.12   0.03  -0.01     0.01  -0.03  -0.00
     8   1     0.44  -0.11  -0.04     0.34  -0.21  -0.03     0.09  -0.02  -0.01
     9   1    -0.14  -0.21   0.01    -0.09  -0.24   0.00     0.08   0.04  -0.01
    10   1     0.24  -0.18  -0.02     0.12  -0.09  -0.01     0.14  -0.05  -0.01
    11   6    -0.03  -0.01   0.01     0.06  -0.04  -0.01    -0.01  -0.00   0.00
    12   6    -0.02   0.02   0.06    -0.01   0.00   0.01     0.00   0.00   0.00
    13   6     0.01  -0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.01  -0.01  -0.02    -0.39   0.01   0.03    -0.02  -0.00   0.00
    15   1    -0.01  -0.07  -0.29     0.00  -0.06  -0.02     0.01  -0.01   0.03
    16   1     0.21  -0.16  -0.18     0.03   0.05   0.01    -0.03  -0.06  -0.01
    17   1     0.07   0.03  -0.26     0.09  -0.01   0.02    -0.02   0.01  -0.05
    18   8    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.01   0.01  -0.04     0.01   0.01  -0.01    -0.00   0.00   0.00
    21   6     0.13   0.09  -0.01    -0.15   0.02   0.01     0.04   0.04  -0.00
    22   6     0.13  -0.11  -0.01     0.01  -0.15  -0.00     0.01  -0.02  -0.00
    23   6    -0.13   0.08   0.01     0.13   0.03  -0.01     0.03  -0.01  -0.00
    24   8    -0.05  -0.01   0.00    -0.00   0.04   0.00    -0.03  -0.02   0.00
    25   6     0.03   0.03  -0.00     0.03  -0.00  -0.00    -0.04  -0.09   0.00
    26   1     0.03  -0.10  -0.01    -0.14   0.13   0.01    -0.12   0.01   0.01
    27   1    -0.09  -0.13   0.00     0.07   0.25   0.00    -0.10  -0.09   0.01
    28   1     0.28  -0.03  -0.02    -0.38   0.20   0.04    -0.15   0.05   0.01
    29   1    -0.13  -0.13   0.04    -0.14   0.03  -0.06     0.28   0.40  -0.18
    30   1     0.01  -0.12  -0.00     0.02  -0.12  -0.00     0.03   0.57   0.01
    31   1    -0.14  -0.13  -0.02    -0.13   0.02   0.09     0.31   0.39   0.14
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1591              1493.3446              1497.8078
 Red. masses --      1.0516                 1.0460                 1.0545
 Frc consts  --      1.3795                 1.3744                 1.3938
 IR Inten    --      8.6376                 8.7664                 7.7006
 RamAct Fr= 1--      6.3179                 9.8159                 5.6201
  Dep-P Fr= 1--      0.7495                 0.7489                 0.7112
  Dep-U Fr= 1--      0.8568                 0.8564                 0.8312
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0038
 Beta2  Fr= 1--      0.9022                 1.4011                 0.7786
 AlphaG Fr= 1--      0.0002                 0.0118                 0.0442
 Gamma2 Fr= 1--      3.5915                -0.0351                 1.7435
 Delta2 Fr= 1--      0.0584                 0.1366                 2.0799
 Raman1 Fr= 1--      25.272                 39.264                 22.480
 ROA1   Fr= 1--     346.649                  1.000                233.933
 CID1   Fr= 1--      13.717                  0.025                 10.406
 Raman2 Fr= 1--      10.827                 16.814                  9.343
 ROA2   Fr= 1--      85.728                 -1.937                 25.204
 CID2   Fr= 1--       7.918                 -0.115                  2.698
 Raman3 Fr= 1--      21.654                 33.627                 18.686
 ROA3   Fr= 1--     346.649                  1.000                233.933
 CID3   Fr= 1--      16.009                  0.030                 12.519
 RC180  Fr= 1--       0.714                  0.713                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     5   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
     8   1    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
     9   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    10   1    -0.03   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.03   0.01  -0.02
    12   6    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00    -0.04   0.02  -0.02
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.04  -0.02  -0.06     0.00  -0.00  -0.00     0.04   0.00   0.04
    15   1    -0.10   0.26  -0.43    -0.00   0.00  -0.00     0.13  -0.61  -0.02
    16   1     0.46   0.52  -0.00     0.00   0.00  -0.00    -0.17   0.28   0.22
    17   1     0.02  -0.06   0.49    -0.00  -0.00   0.00     0.65  -0.05   0.14
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    22   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    24   8    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.01   0.00  -0.06    -0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.02  -0.01  -0.00
    27   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   1     0.00   0.00   0.00    -0.00   0.00  -0.03     0.02  -0.01  -0.00
    29   1     0.02   0.05  -0.02     0.48   0.11   0.03     0.02   0.00   0.00
    30   1     0.00   0.06  -0.00     0.06  -0.01   0.72     0.00   0.03   0.00
    31   1     0.03   0.05   0.02    -0.46  -0.11   0.11     0.02   0.00  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.2828              1525.5170              1546.3047
 Red. masses --      1.0645                 2.3856                 3.4774
 Frc consts  --      1.4230                 3.2710                 4.8989
 IR Inten    --     35.7912                47.3994                33.5843
 RamAct Fr= 1--      2.5979               137.7583                 0.4502
  Dep-P Fr= 1--      0.6619                 0.2477                 0.6825
  Dep-U Fr= 1--      0.7966                 0.3970                 0.8113
 Alpha2 Fr= 1--      0.0041                 1.6433                 0.0005
 Beta2  Fr= 1--      0.3449                 9.1156                 0.0609
 AlphaG Fr= 1--     -0.0054                -0.1305                -0.0075
 Gamma2 Fr= 1--     -0.3904                -2.3563                -1.2137
 Delta2 Fr= 1--     -0.2151                 1.0816                 0.1237
 Raman1 Fr= 1--      10.392                551.033                  1.801
 ROA1   Fr= 1--     -44.357               -191.590               -112.557
 CID1   Fr= 1--      -4.268                 -0.348                -62.502
 Raman2 Fr= 1--       4.139                109.388                  0.730
 ROA2   Fr= 1--      -7.648                -65.203                -30.119
 CID2   Fr= 1--      -1.848                 -0.596                -41.231
 Raman3 Fr= 1--       8.278                218.776                  1.461
 ROA3   Fr= 1--     -44.357               -191.590               -112.557
 CID3   Fr= 1--      -5.359                 -0.876                -77.042
 RC180  Fr= 1--       0.593                 -0.206                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00     0.09  -0.02  -0.01     0.13  -0.04  -0.01
     2   6     0.00  -0.00  -0.00    -0.10   0.03   0.01     0.14  -0.06  -0.01
     3   6     0.01   0.01  -0.00     0.06  -0.04  -0.01    -0.06  -0.05   0.00
     4   6     0.00  -0.02  -0.00    -0.12  -0.01   0.01     0.03   0.18   0.00
     5   6    -0.00   0.01   0.00     0.06   0.09  -0.00    -0.05  -0.15   0.00
     6   6     0.02  -0.01  -0.00     0.10  -0.07  -0.01    -0.12   0.11   0.01
     7   6     0.00  -0.01  -0.00    -0.11   0.06   0.01    -0.12   0.10   0.01
     8   1    -0.03   0.02   0.00    -0.20   0.03   0.02     0.18  -0.13  -0.02
     9   1    -0.02  -0.00   0.00    -0.34  -0.26   0.02     0.33   0.18  -0.03
    10   1    -0.04   0.01   0.00    -0.36   0.06   0.03     0.40  -0.05  -0.03
    11   6    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.01  -0.03   0.00
    12   6    -0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    14   1     0.03   0.00   0.00     0.00   0.01   0.01    -0.19  -0.00   0.00
    15   1     0.01  -0.02   0.01     0.01   0.01   0.09    -0.01   0.02  -0.04
    16   1    -0.01  -0.00   0.01    -0.06  -0.09  -0.01     0.04   0.03  -0.01
    17   1     0.02  -0.00  -0.01    -0.04   0.01  -0.08    -0.01  -0.00   0.04
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00   0.01  -0.00
    21   6     0.01   0.01  -0.00    -0.04  -0.08   0.00    -0.03  -0.15  -0.00
    22   6    -0.01   0.00   0.00     0.15   0.02  -0.01     0.04   0.19   0.00
    23   6    -0.01   0.00   0.00    -0.06   0.04   0.01    -0.08  -0.05   0.01
    24   8     0.02  -0.01  -0.00    -0.05  -0.02   0.00    -0.00  -0.03  -0.00
    25   6     0.04  -0.03  -0.00    -0.02  -0.03   0.00    -0.01  -0.01   0.00
    26   1    -0.02  -0.00   0.00     0.35  -0.08  -0.03     0.40  -0.06  -0.03
    27   1    -0.03  -0.03   0.00     0.28   0.21  -0.02     0.27   0.12  -0.02
    28   1     0.04  -0.01  -0.00     0.22  -0.04  -0.02     0.24  -0.15  -0.02
    29   1    -0.39   0.40  -0.34     0.13   0.18  -0.08    -0.03   0.13  -0.08
    30   1    -0.01  -0.37  -0.01     0.01   0.26   0.01    -0.02  -0.04   0.00
    31   1    -0.32   0.39   0.42     0.14   0.18   0.07    -0.01   0.12   0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1617.0717              1653.5329              1672.9576
 Red. masses --      7.0756                 5.6241                 6.1891
 Frc consts  --     10.9012                 9.0601                10.2057
 IR Inten    --      3.6891               116.7881                58.2518
 RamAct Fr= 1--     43.1859                 2.3961               183.8185
  Dep-P Fr= 1--      0.2106                 0.4645                 0.4282
  Dep-U Fr= 1--      0.3479                 0.6343                 0.5996
 Alpha2 Fr= 1--      0.5702                 0.0138                 1.2273
 Beta2  Fr= 1--      2.5040                 0.2533                18.3697
 AlphaG Fr= 1--     -0.3434                -0.0208                -0.3714
 Gamma2 Fr= 1--      0.7335                -0.2577                -0.8659
 Delta2 Fr= 1--      0.5011                 0.8338                -1.1766
 Raman1 Fr= 1--     172.743                  9.584                735.274
 ROA1   Fr= 1--      86.457                  1.945               -120.777
 CID1   Fr= 1--       0.500                  0.203                 -0.164
 Raman2 Fr= 1--      30.048                  3.040                220.436
 ROA2   Fr= 1--      13.596                -12.855                -11.369
 CID2   Fr= 1--       0.452                 -4.229                 -0.052
 Raman3 Fr= 1--      60.096                  6.080                440.873
 ROA3   Fr= 1--      86.457                  1.945               -120.777
 CID3   Fr= 1--       1.439                  0.320                 -0.274
 RC180  Fr= 1--      -0.304                  0.269                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.29  -0.00    -0.02  -0.01   0.00    -0.25   0.04   0.02
     2   6     0.04   0.29   0.00    -0.01  -0.01   0.00     0.24  -0.04  -0.02
     3   6    -0.12   0.16   0.01     0.21  -0.11  -0.02     0.22  -0.08  -0.02
     4   6     0.06  -0.22  -0.01    -0.20   0.10   0.02    -0.15   0.06   0.01
     5   6     0.16   0.16  -0.01     0.21   0.06  -0.02     0.18   0.06  -0.01
     6   6    -0.12  -0.10   0.01    -0.21  -0.00   0.02    -0.24   0.03   0.02
     7   6     0.11   0.11  -0.01    -0.23  -0.00   0.02     0.25  -0.03  -0.02
     8   1     0.32   0.03  -0.02    -0.31   0.04   0.03    -0.31   0.08   0.03
     9   1    -0.18  -0.16   0.01    -0.17  -0.31   0.01    -0.11  -0.23   0.00
    10   1     0.12  -0.19  -0.01     0.16  -0.13  -0.02     0.27  -0.14  -0.03
    11   6    -0.02   0.02   0.00     0.04  -0.01  -0.01     0.02  -0.01  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.01   0.00   0.01    -0.00   0.00   0.00
    14   1     0.15  -0.00  -0.00    -0.09   0.00   0.01    -0.05  -0.00   0.01
    15   1     0.00  -0.01   0.01     0.00   0.01   0.02     0.00   0.01   0.01
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    17   1     0.02  -0.00  -0.01    -0.01   0.00  -0.00    -0.01   0.00   0.00
    18   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01     0.01  -0.00  -0.02     0.01  -0.01  -0.03
    21   6    -0.17  -0.19   0.01     0.23   0.06  -0.02    -0.19  -0.05   0.01
    22   6    -0.08   0.27   0.01    -0.20   0.10   0.02     0.13  -0.06  -0.01
    23   6     0.12  -0.18  -0.01     0.20  -0.10  -0.02    -0.20   0.07   0.02
    24   8     0.03  -0.01  -0.00     0.03  -0.01  -0.00    -0.01   0.01   0.00
    25   6    -0.01  -0.00   0.00     0.00   0.02  -0.00    -0.00  -0.01   0.00
    26   1    -0.06   0.18   0.01     0.19  -0.15  -0.02    -0.29   0.15   0.03
    27   1     0.17   0.15  -0.01    -0.14  -0.32   0.00     0.07   0.21  -0.00
    28   1    -0.35  -0.05   0.03    -0.31   0.04   0.03     0.30  -0.08  -0.03
    29   1     0.01   0.01   0.00    -0.04  -0.06   0.03     0.02   0.05  -0.03
    30   1    -0.02  -0.06   0.00    -0.00  -0.10  -0.00    -0.00   0.05   0.00
    31   1     0.01   0.01  -0.00    -0.05  -0.06  -0.03     0.02   0.04   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0684              3011.2361              3015.4759
 Red. masses --     10.3678                 1.0345                 1.0817
 Frc consts  --     20.6376                 5.5267                 5.7951
 IR Inten    --    424.6515                47.0488                 9.3205
 RamAct Fr= 1--     26.0904               188.6721                69.1539
  Dep-P Fr= 1--      0.2866                 0.0481                 0.1591
  Dep-U Fr= 1--      0.4455                 0.0918                 0.2745
 Alpha2 Fr= 1--      0.2785                 3.7435                 1.0445
 Beta2  Fr= 1--      1.9370                 2.8879                 3.1643
 AlphaG Fr= 1--     -0.8389                 0.0965                 0.2627
 Gamma2 Fr= 1--     -4.2406                 0.1836                -0.7975
 Delta2 Fr= 1--     -0.4518                -0.2826                -0.3861
 Raman1 Fr= 1--     104.361                754.689                276.616
 ROA1   Fr= 1--    -421.557                  8.586                -88.920
 CID1   Fr= 1--      -4.039                  0.011                 -0.321
 Raman2 Fr= 1--      23.244                 34.655                 37.972
 ROA2   Fr= 1--     -98.160                  6.668                -16.052
 CID2   Fr= 1--      -4.223                  0.192                 -0.423
 Raman3 Fr= 1--      46.489                 69.309                 75.943
 ROA3   Fr= 1--    -421.557                  8.586                -88.920
 CID3   Fr= 1--      -9.068                  0.124                 -1.171
 RC180  Fr= 1--      -0.109                 -0.816                 -0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
     9   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.04   0.02  -0.01    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    12   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
    13   6     0.68  -0.29   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   1    -0.03   0.00  -0.06     0.00   0.01   0.00     0.10   0.99   0.02
    15   1     0.03  -0.03   0.05     0.00   0.00   0.00    -0.02  -0.00  -0.00
    16   1    -0.08   0.04   0.08    -0.00   0.00  -0.00     0.02  -0.01   0.02
    17   1     0.02  -0.02   0.04    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    18   8    -0.43   0.18   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.04   0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.06  -0.01   0.45    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00    -0.15   0.31   0.58     0.00  -0.00  -0.01
    30   1    -0.00  -0.00   0.00     0.29  -0.03  -0.03    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.24   0.33  -0.53     0.00  -0.00   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.2206              3067.8399              3117.2994
 Red. masses --      1.0350                 1.1058                 1.1025
 Frc consts  --      5.6846                 6.1318                 6.3125
 IR Inten    --     16.5389                32.8522                15.5769
 RamAct Fr= 1--    177.5912                42.4394                35.8239
  Dep-P Fr= 1--      0.0213                 0.7500                 0.7396
  Dep-U Fr= 1--      0.0417                 0.8571                 0.8503
 Alpha2 Fr= 1--      3.7547                 0.0000                 0.0064
 Beta2  Fr= 1--      1.2331                 6.0628                 5.0768
 AlphaG Fr= 1--     -0.1765                 0.0093                 0.0123
 Gamma2 Fr= 1--      1.0093                 0.6531                -3.2563
 Delta2 Fr= 1--      3.9668                 0.7988                 0.9490
 Raman1 Fr= 1--     710.365                169.758                143.296
 ROA1   Fr= 1--     223.834                 88.259               -282.236
 CID1   Fr= 1--       0.315                  0.520                 -1.970
 Raman2 Fr= 1--      14.797                 72.753                 60.921
 ROA2   Fr= 1--      -7.510                  9.283                -85.742
 CID2   Fr= 1--      -0.508                  0.128                 -1.407
 Raman3 Fr= 1--      29.594                145.506                121.843
 ROA3   Fr= 1--     223.834                 88.259               -282.236
 CID3   Fr= 1--       7.563                  0.607                 -2.316
 RC180  Fr= 1--      -0.917                  0.714                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6     0.01  -0.02  -0.05     0.00  -0.00  -0.00     0.02  -0.08   0.04
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.02  -0.00     0.00   0.00   0.00     0.01   0.08   0.00
    15   1    -0.46  -0.12   0.01    -0.00  -0.00   0.00     0.01  -0.02   0.01
    16   1     0.31  -0.27   0.50     0.00  -0.00   0.00    -0.32   0.26  -0.52
    17   1     0.05   0.59   0.03     0.00   0.00   0.00     0.06   0.73   0.06
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.00  -0.09    -0.00   0.00   0.00
    26   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00    -0.17   0.34   0.59     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.02     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.27  -0.36   0.54    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.0637              3140.1022              3153.6382
 Red. masses --      1.1020                 1.0993                 1.0896
 Frc consts  --      6.3692                 6.3865                 6.3847
 IR Inten    --     16.6919                23.1130                10.5902
 RamAct Fr= 1--    148.7863               180.3489                61.8738
  Dep-P Fr= 1--      0.5130                 0.4030                 0.2595
  Dep-U Fr= 1--      0.6781                 0.5745                 0.4121
 Alpha2 Fr= 1--      0.6905                 1.3216                 0.7140
 Beta2  Fr= 1--     16.8161                17.2681                 4.2493
 AlphaG Fr= 1--      0.1402                -0.0722                 0.0835
 Gamma2 Fr= 1--      1.1080                -0.9621                 0.9971
 Delta2 Fr= 1--     -6.0182                -0.3993                -0.3533
 Raman1 Fr= 1--     595.145                721.396                247.495
 ROA1   Fr= 1--     -86.211               -105.141                 84.415
 CID1   Fr= 1--      -0.145                 -0.146                  0.341
 Raman2 Fr= 1--     201.793                207.217                 50.992
 ROA2   Fr= 1--      74.738                -19.896                 26.757
 CID2   Fr= 1--       0.370                 -0.096                  0.525
 Raman3 Fr= 1--     403.587                414.434                101.984
 ROA3   Fr= 1--     -86.211               -105.141                 84.415
 CID3   Fr= 1--      -0.214                 -0.254                  0.828
 RC180  Fr= 1--       0.356                  0.149                 -0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.08   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.30   0.95  -0.01
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.04  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.08  -0.03  -0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.00   0.03   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    15   1     0.85   0.21  -0.03    -0.00  -0.00   0.00     0.01   0.00  -0.00
    16   1     0.16  -0.16   0.27    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.31   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00   0.00   0.00    -0.09   0.02   0.01     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.00
    27   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    28   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
    29   1     0.00  -0.00  -0.00     0.03  -0.08  -0.17    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.95  -0.10  -0.08    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.06  -0.09   0.16    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3166.0386              3172.5900              3183.4623
 Red. masses --      1.0864                 1.0883                 1.0946
 Frc consts  --      6.4164                 6.4537                 6.5358
 IR Inten    --      3.8297                 7.9899                 9.7452
 RamAct Fr= 1--     53.6230                83.7413               143.6348
  Dep-P Fr= 1--      0.7328                 0.5061                 0.1563
  Dep-U Fr= 1--      0.8458                 0.6721                 0.2703
 Alpha2 Fr= 1--      0.0158                 0.4018                 2.1852
 Beta2  Fr= 1--      7.5589                 9.3802                 6.4714
 AlphaG Fr= 1--      0.0243                -0.0218                -0.3543
 Gamma2 Fr= 1--     -0.0471                -0.9264                 1.1075
 Delta2 Fr= 1--     -0.9413                 0.0927                 3.2526
 Raman1 Fr= 1--     214.492                334.965                574.539
 ROA1   Fr= 1--     -34.648                -85.968                210.398
 CID1   Fr= 1--      -0.162                 -0.257                  0.366
 Raman2 Fr= 1--      90.706                112.562                 77.657
 ROA2   Fr= 1--       6.399                -22.975                  0.558
 CID2   Fr= 1--       0.071                 -0.204                  0.007
 Raman3 Fr= 1--     181.413                225.124                155.314
 ROA3   Fr= 1--     -34.648                -85.968                210.398
 CID3   Fr= 1--      -0.191                 -0.382                  1.355
 RC180  Fr= 1--       0.692                  0.344                 -0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03   0.04   0.00     0.00  -0.00  -0.00     0.05  -0.05  -0.00
     6   6    -0.02  -0.06   0.00    -0.00   0.00   0.00    -0.02  -0.05   0.00
     7   6    -0.00  -0.00   0.00    -0.02  -0.08   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.03   0.00     0.03   0.08  -0.00    -0.01  -0.03   0.00
     9   1     0.41  -0.45  -0.04    -0.01   0.02   0.00    -0.53   0.58   0.05
    10   1     0.23   0.75  -0.01    -0.00  -0.01   0.00     0.18   0.58  -0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    17   1    -0.00  -0.03  -0.00     0.00   0.00   0.00     0.00   0.03   0.00
    18   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.00   0.00   0.00    -0.02   0.02   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00     0.28   0.90  -0.00    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00     0.21  -0.23  -0.02    -0.01   0.01   0.00
    28   1    -0.01  -0.03  -0.00     0.01   0.02  -0.00    -0.01  -0.04  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3199.8583              3206.0767              3707.8465
 Red. masses --      1.0937                 1.0893                 1.0652
 Frc consts  --      6.5981                 6.5969                 8.6286
 IR Inten    --      5.2887                 8.4050               132.4937
 RamAct Fr= 1--    206.9171                82.2582               123.3670
  Dep-P Fr= 1--      0.2166                 0.2583                 0.2288
  Dep-U Fr= 1--      0.3561                 0.4105                 0.3723
 Alpha2 Fr= 1--      2.6878                 0.9524                 1.5506
 Beta2  Fr= 1--     12.2808                 5.6285                 7.6559
 AlphaG Fr= 1--     -0.1493                 0.0219                -2.3492
 Gamma2 Fr= 1--     -1.2460                 0.0557               -23.5377
 Delta2 Fr= 1--     -0.6795                -0.1472                -1.8236
 Raman1 Fr= 1--     827.668                329.033                493.468
 ROA1   Fr= 1--    -141.359                  0.637              -2317.971
 CID1   Fr= 1--      -0.171                  0.002                 -4.697
 Raman2 Fr= 1--     147.369                 67.542                 91.870
 ROA2   Fr= 1--     -24.467                  2.515               -550.315
 CID2   Fr= 1--      -0.166                  0.037                 -5.990
 Raman3 Fr= 1--     294.738                135.084                183.741
 ROA3   Fr= 1--    -141.359                  0.637              -2317.971
 CID3   Fr= 1--      -0.480                  0.005                -12.615
 RC180  Fr= 1--      -0.288                 -0.179                 -0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.01  -0.03   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.01  -0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00     0.01   0.05  -0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.02  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.94  -0.32   0.12
    21   6     0.06  -0.06  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00   0.00    -0.02  -0.08   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.09   0.29  -0.00    -0.01  -0.02   0.00    -0.00  -0.00  -0.00
    27   1    -0.65   0.68   0.07    -0.01   0.01   0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01  -0.00     0.29   0.95  -0.00     0.00   0.00  -0.00
    29   1     0.00   0.00   0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.02   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1299.412138870.282849172.11716
           X            0.99989   0.00987  -0.01143
           Y           -0.00975   0.99990   0.01032
           Z            0.01153  -0.01020   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06666     0.00976     0.00944
 Rotational constants (GHZ):           1.38889     0.20346     0.19676
 Zero-point vibrational energy     658088.0 (Joules/Mol)
                                  157.28681 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     41.14    58.99    65.48   138.36   183.39
          (Kelvin)            200.12   270.18   301.59   306.82   316.68
                              347.02   409.61   433.12   550.71   576.29
                              594.82   653.13   702.38   716.93   753.01
                              767.25   778.67   835.77   867.34   923.41
                              981.87   999.95  1077.16  1124.44  1138.66
                             1171.81  1191.25  1200.75  1248.85  1271.29
                             1316.63  1365.58  1386.24  1402.42  1413.32
                             1456.96  1527.82  1566.87  1588.32  1656.51
                             1689.18  1691.96  1703.22  1715.46  1733.82
                             1762.07  1824.73  1846.27  1869.82  1871.47
                             1885.16  1928.83  1988.79  2027.59  2039.15
                             2051.36  2096.52  2124.41  2146.88  2148.59
                             2155.01  2167.20  2194.88  2224.79  2326.61
                             2379.07  2407.01  2644.57  4332.50  4338.60
                             4392.90  4413.94  4485.10  4506.34  4517.91
                             4537.38  4555.22  4564.65  4580.29  4603.88
                             4612.83  5334.76
 
 Zero-point correction=                           0.250652 (Hartree/Particle)
 Thermal correction to Energy=                    0.265855
 Thermal correction to Enthalpy=                  0.266799
 Thermal correction to Gibbs Free Energy=         0.207181
 Sum of electronic and zero-point Energies=           -767.722802
 Sum of electronic and thermal Energies=              -767.707600
 Sum of electronic and thermal Enthalpies=            -767.706655
 Sum of electronic and thermal Free Energies=         -767.766273
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.827             58.664            125.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.025
 Vibrational            165.049             52.702             50.250
 Vibration     1          0.593              1.984              5.925
 Vibration     2          0.594              1.981              5.210
 Vibration     3          0.595              1.979              5.004
 Vibration     4          0.603              1.952              3.531
 Vibration     5          0.611              1.926              2.984
 Vibration     6          0.615              1.914              2.816
 Vibration     7          0.632              1.857              2.250
 Vibration     8          0.642              1.826              2.047
 Vibration     9          0.644              1.821              2.016
 Vibration    10          0.647              1.810              1.958
 Vibration    11          0.658              1.777              1.794
 Vibration    12          0.683              1.702              1.505
 Vibration    13          0.693              1.672              1.411
 Vibration    14          0.752              1.507              1.028
 Vibration    15          0.766              1.469              0.961
 Vibration    16          0.777              1.441              0.915
 Vibration    17          0.812              1.352              0.784
 Vibration    18          0.844              1.276              0.688
 Vibration    19          0.854              1.254              0.662
 Vibration    20          0.878              1.198              0.602
 Vibration    21          0.888              1.176              0.580
 Vibration    22          0.896              1.159              0.563
 Vibration    23          0.938              1.073              0.484
 Vibration    24          0.961              1.026              0.445
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.504987D-95        -95.296720       -219.428806
 Total V=0       0.989286D+20         19.995322         46.040930
 Vib (Bot)       0.100010-109       -109.999955       -253.284256
 Vib (Bot)    1  0.724191D+01          0.859853          1.979884
 Vib (Bot)    2  0.504641D+01          0.702983          1.618677
 Vib (Bot)    3  0.454439D+01          0.657475          1.513893
 Vib (Bot)    4  0.213572D+01          0.329544          0.758803
 Vib (Bot)    5  0.160045D+01          0.204242          0.470286
 Vib (Bot)    6  0.146229D+01          0.165033          0.380003
 Vib (Bot)    7  0.106666D+01          0.028028          0.064537
 Vib (Bot)    8  0.947684D+00         -0.023336         -0.053734
 Vib (Bot)    9  0.930160D+00         -0.031443         -0.072399
 Vib (Bot)   10  0.898644D+00         -0.046412         -0.106868
 Vib (Bot)   11  0.812528D+00         -0.090162         -0.207605
 Vib (Bot)   12  0.673654D+00         -0.171563         -0.395038
 Vib (Bot)   13  0.631378D+00         -0.199710         -0.459850
 Vib (Bot)   14  0.471456D+00         -0.326559         -0.751930
 Vib (Bot)   15  0.444813D+00         -0.351822         -0.810101
 Vib (Bot)   16  0.426848D+00         -0.369727         -0.851327
 Vib (Bot)   17  0.376552D+00         -0.424174         -0.976698
 Vib (Bot)   18  0.340180D+00         -0.468292         -1.078281
 Vib (Bot)   19  0.330333D+00         -0.481048         -1.107653
 Vib (Bot)   20  0.307459D+00         -0.512213         -1.179415
 Vib (Bot)   21  0.298990D+00         -0.524343         -1.207345
 Vib (Bot)   22  0.292414D+00         -0.534002         -1.229584
 Vib (Bot)   23  0.262091D+00         -0.581548         -1.339063
 Vib (Bot)   24  0.246975D+00         -0.607347         -1.398468
 Vib (V=0)       0.195924D+06          5.292087         12.185480
 Vib (V=0)    1  0.775915D+01          0.889814          2.048872
 Vib (V=0)    2  0.557112D+01          0.745943          1.717596
 Vib (V=0)    3  0.507181D+01          0.705163          1.623698
 Vib (V=0)    4  0.269347D+01          0.430312          0.990829
 Vib (V=0)    5  0.217674D+01          0.337806          0.777827
 Vib (V=0)    6  0.204541D+01          0.310780          0.715598
 Vib (V=0)    7  0.167804D+01          0.224802          0.517625
 Vib (V=0)    8  0.157150D+01          0.196314          0.452029
 Vib (V=0)    9  0.155603D+01          0.192018          0.442137
 Vib (V=0)   10  0.152838D+01          0.184231          0.424207
 Vib (V=0)   11  0.145404D+01          0.162578          0.374349
 Vib (V=0)   12  0.133893D+01          0.126759          0.291874
 Vib (V=0)   13  0.130538D+01          0.115737          0.266495
 Vib (V=0)   14  0.118722D+01          0.074531          0.171614
 Vib (V=0)   15  0.116922D+01          0.067897          0.156339
 Vib (V=0)   16  0.115742D+01          0.063491          0.146192
 Vib (V=0)   17  0.112593D+01          0.051512          0.118612
 Vib (V=0)   18  0.110475D+01          0.043264          0.099619
 Vib (V=0)   19  0.109927D+01          0.041103          0.094643
 Vib (V=0)   20  0.108697D+01          0.036217          0.083392
 Vib (V=0)   21  0.108258D+01          0.034458          0.079344
 Vib (V=0)   22  0.107923D+01          0.033114          0.076247
 Vib (V=0)   23  0.106453D+01          0.027157          0.062531
 Vib (V=0)   24  0.105767D+01          0.024351          0.056069
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.368063D+07          6.565923         15.118595
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3           3333333333333                              111111111111111111111111111111111                                        
     7           2211111110000                              866655544444444333332222111111000999998888877766665555444443322222111    
     0           0087654316511                              3751420999752108410086209877508618764186321984984084329851080842118329442
     8           6033640278351                              8347666832776792101038552464149232539548584129522311338843131510308976619
 
     X           XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXX
     X                    X  X                              XXX XXX     X   XXXXXXXX  X    X      X           X                      
     X                                                      XXX         X   XXXX XX        X                  X                      
     X                                                      X X             XXX  X                                                   
     X                                                      X X             XXX                                                      
     X                                                      X X             XX                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000337   -0.000000230    0.000000335
      2        6           0.000000126   -0.000000829   -0.000000408
      3        6          -0.000000338   -0.000002850   -0.000001340
      4        6          -0.000000405    0.000006186   -0.000001624
      5        6          -0.000000071   -0.000002378    0.000000403
      6        6           0.000000532   -0.000000032    0.000000343
      7        6          -0.000000966   -0.000000368   -0.000000839
      8        1          -0.000000105    0.000000407    0.000000498
      9        1           0.000000512    0.000000551   -0.000000024
     10        1           0.000000641    0.000001043    0.000000213
     11        6          -0.000002964   -0.000002527    0.000008114
     12        6          -0.000003050   -0.000001811   -0.000002639
     13        6           0.000006032    0.000002259   -0.000013425
     14        1           0.000001803    0.000000799    0.000000386
     15        1           0.000000234    0.000000900   -0.000000225
     16        1           0.000000817    0.000000267    0.000000771
     17        1           0.000001580   -0.000000032    0.000001236
     18        8          -0.000005136    0.000001087    0.000002887
     19        8          -0.000002103   -0.000000020    0.000009654
     20        1           0.000000498   -0.000000705   -0.000001911
     21        6           0.000000649   -0.000000930   -0.000000294
     22        6          -0.000000400    0.000000203    0.000000251
     23        6           0.000001767    0.000001201   -0.000000243
     24        8           0.000000428    0.000001491   -0.000000973
     25        6          -0.000001154   -0.000004218    0.000000231
     26        1          -0.000000035   -0.000000636    0.000000030
     27        1           0.000000034   -0.000000484   -0.000000252
     28        1           0.000001276    0.000000577   -0.000000102
     29        1          -0.000000129    0.000000253   -0.000000163
     30        1          -0.000000263    0.000000199   -0.000000333
     31        1          -0.000000145    0.000000627   -0.000000556
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013425 RMS     0.000002467
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293041D+03 -0.871673D+01 -0.129053D+02
      2  -0.871673D+01  0.169957D+03  0.205562D+01
      3  -0.129053D+02  0.205562D+01  0.118995D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.287378D+01 -0.248527D+02  0.323815D+01
      2   0.440271D+02  0.836781D+00  0.304336D+02
      3   0.721997D+02  0.655627D+02 -0.255387D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.263858D+03 -0.843180D+02  0.422792D+02
      2   0.835124D+02  0.657846D+02  0.611949D+01
      3   0.180345D+03  0.185334D+02 -0.483987D+02
      4  -0.756698D+02 -0.160378D+03 -0.135903D+01
      5  -0.339848D+02 -0.251920D+01  0.738700D+02
      6  -0.375027D+01 -0.450518D+02 -0.122337D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.314967D+02 -0.178216D+01 -0.214458D+01  0.469024D+02 -0.785213D+01
      2  -0.178216D+01 -0.383505D+00  0.261297D+00 -0.785213D+01  0.899926D+01
      3  -0.214458D+01  0.261297D+00 -0.132111D+00 -0.365976D+01  0.773590D+00
                 6             7             8             9            10 
      1  -0.365976D+01 -0.111284D+01 -0.971635D-01  0.106414D+01 -0.356425D+02
      2   0.773590D+00 -0.971635D-01  0.202301D+00  0.121211D+01  0.208625D+01
      3  -0.103849D+00  0.106414D+01  0.121211D+01 -0.120343D+00  0.231420D+01
                11            12            13            14            15 
      1   0.208625D+01  0.231420D+01 -0.470249D+02  0.736612D+01  0.371224D+01
      2  -0.425570D+01 -0.222842D+00  0.736612D+01 -0.724610D+01 -0.802787D+00
      3  -0.222842D+00  0.133300D+00  0.371224D+01 -0.802787D+00  0.186063D+00
                16            17            18            19            20 
      1   0.170191D+01 -0.679227D-02 -0.129079D+01 -0.404317D+02  0.497184D+01
      2  -0.679227D-02  0.247604D+00 -0.948165D+00  0.497184D+01 -0.434987D+01
      3  -0.129079D+01 -0.948165D+00  0.181011D-01  0.241100D+01 -0.298593D+00
                21            22            23            24            25 
      1   0.241100D+01  0.170257D+02 -0.212239D+01 -0.382397D+00  0.377837D+01
      2  -0.298593D+00 -0.212239D+01  0.312524D+01  0.280252D+00  0.194031D+00
      3  -0.456195D+00 -0.382397D+00  0.280252D+00  0.232927D+01  0.110052D+01
                26            27            28            29            30 
      1   0.194031D+00  0.110052D+01  0.429027D+02 -0.297665D+01 -0.170351D+01
      2   0.217437D+00  0.360041D+01 -0.297665D+01  0.356316D+01  0.311944D+00
      3   0.360041D+01 -0.703374D-01 -0.170351D+01  0.311944D+00  0.238727D+01
                31            32            33            34            35 
      1  -0.652117D+01  0.930215D+00  0.248391D+00 -0.119861D+01  0.985937D-01
      2   0.930215D+00 -0.770514D+01 -0.617141D+00  0.985937D-01 -0.875815D+00
      3   0.248391D+00 -0.617141D+00 -0.592716D+00  0.603538D+01 -0.768417D+00
                36            37            38            39            40 
      1   0.603538D+01  0.914475D+01  0.135214D+00 -0.208636D+00 -0.633757D+01
      2  -0.768417D+00  0.135214D+00  0.778755D+01  0.244402D+00  0.153568D+01
      3  -0.881833D+00 -0.208636D+00  0.244402D+00  0.186773D+01  0.425835D-01
                41            42            43            44            45 
      1   0.153568D+01  0.425835D-01 -0.906900D+00 -0.141196D+00  0.419525D+01
      2   0.380600D+01  0.151826D+00 -0.141196D+00 -0.571097D+00 -0.218781D+01
      3   0.151826D+00 -0.102494D+01  0.419525D+01 -0.218781D+01 -0.124485D+01
                46            47            48            49            50 
      1  -0.127105D+02  0.125625D+01  0.952236D+00 -0.771049D+00  0.898451D+00
      2   0.125625D+01 -0.491563D+01 -0.769649D+00  0.898451D+00  0.732534D-01
      3   0.952236D+00 -0.769649D+00 -0.155844D+01  0.196198D-01  0.125105D-01
                51            52            53            54            55 
      1   0.196198D-01  0.985025D+00 -0.541620D+00 -0.117181D+01  0.140668D+02
      2   0.125105D-01 -0.541620D+00  0.618004D+00 -0.365840D+01 -0.286191D+01
      3  -0.152472D+01 -0.117181D+01 -0.365840D+01 -0.136718D-01 -0.972425D+00
                56            57            58            59            60 
      1  -0.286191D+01 -0.972425D+00 -0.118052D+01 -0.912172D+00  0.215214D+00
      2   0.945832D+01  0.609513D+00 -0.912172D+00 -0.980126D+00 -0.601151D-01
      3   0.609513D+00  0.163825D+01  0.215214D+00 -0.601151D-01  0.160864D+01
                61            62            63            64            65 
      1  -0.117221D+01  0.554019D+00  0.966183D+00  0.122206D+01  0.224937D+01
      2   0.554019D+00 -0.103826D+01  0.363475D+01  0.224937D+01  0.154359D+01
      3   0.966183D+00  0.363475D+01 -0.156097D+00 -0.837142D-01 -0.160318D+00
                66            67            68            69            70 
      1  -0.837142D-01  0.244785D+01  0.297595D+01 -0.112082D+00 -0.189046D+00
      2  -0.160318D+00  0.297595D+01  0.766957D+01 -0.215852D+00 -0.174009D+00
      3   0.176525D+00 -0.112082D+00 -0.215852D+00  0.886944D+00 -0.239447D-01
                71            72            73            74            75 
      1  -0.174009D+00 -0.239447D-01  0.645860D+01 -0.306810D+01 -0.634438D+00
      2  -0.409023D-01  0.246577D+00 -0.306810D+01  0.271492D+01  0.236397D+00
      3   0.246577D+00 -0.472153D-01 -0.634438D+00  0.236397D+00  0.643032D+00
                76            77            78            79            80 
      1  -0.387112D+01  0.406495D+01  0.410281D+00 -0.747035D+00  0.225179D+00
      2   0.406495D+01 -0.504162D+01 -0.448428D+00  0.225179D+00 -0.215054D+00
      3   0.410281D+00 -0.448428D+00 -0.741317D+00 -0.177666D+00 -0.290837D+00
                81            82            83            84            85 
      1  -0.177666D+00 -0.112785D+01 -0.157807D+01  0.398417D-01 -0.756462D+00
      2  -0.290837D+00 -0.157807D+01 -0.208736D+01  0.446899D-01 -0.143463D+01
      3  -0.343129D-01  0.398417D-01  0.446899D-01 -0.204631D+00 -0.707729D-01
                86            87            88            89            90 
      1  -0.143463D+01 -0.707729D-01  0.160325D+00  0.954078D-01  0.570429D-01
      2  -0.101330D+02 -0.150888D+00  0.954078D-01 -0.301285D-01 -0.357530D+00
      3  -0.150888D+00 -0.955991D+00  0.570429D-01 -0.357530D+00 -0.243221D-01
                91            92            93            94            95 
      1  -0.137366D+02  0.199773D+01 -0.729719D-02  0.213301D+01 -0.739698D+00
      2   0.199773D+01 -0.307309D+00 -0.377890D-01 -0.739698D+00 -0.510427D+01
      3  -0.729719D-02 -0.377890D-01 -0.344528D+01 -0.904755D+00  0.544759D-01
                96            97            98            99           100 
      1  -0.904755D+00  0.220939D+00 -0.501160D+00 -0.758040D+01 -0.676921D+01
      2   0.544759D-01 -0.501160D+00 -0.360005D+00  0.138560D+01 -0.230137D+01
      3   0.140720D+01 -0.758040D+01  0.138560D+01  0.440808D-01  0.123895D+01
               101           102           103           104           105 
      1  -0.230137D+01  0.123895D+01 -0.573006D+01  0.592825D+00  0.915196D+00
      2   0.224183D+00 -0.263399D+00  0.592825D+00  0.449865D+01  0.123794D+01
      3  -0.263399D+00  0.344905D+01  0.915196D+00  0.123794D+01 -0.289001D+01
               106           107           108           109           110 
      1  -0.436944D+01  0.519584D+00  0.533380D+01 -0.622627D+01  0.208134D+01
      2   0.519584D+00  0.682327D+00 -0.230913D+01  0.208134D+01 -0.668056D+00
      3   0.533380D+01 -0.230913D+01 -0.197753D+00  0.366272D+00  0.184397D+00
               111           112           113           114           115 
      1   0.366272D+00  0.151104D+01 -0.437026D+00  0.504709D+00  0.607739D+01
      2   0.184397D+00 -0.437026D+00  0.969096D+00  0.346806D+00 -0.211197D+00
      3   0.967196D+00  0.504709D+00  0.346806D+00 -0.639494D+00  0.397933D+01
               116           117           118           119           120 
      1  -0.211197D+00  0.397933D+01 -0.983188D+00  0.144768D+01  0.101369D+00
      2   0.101529D+01 -0.492449D+00  0.144768D+01  0.823142D+00 -0.945371D-01
      3  -0.492449D+00  0.944971D+00  0.101369D+00 -0.945371D-01  0.839120D+00
               121           122           123           124           125 
      1   0.298211D+01  0.195182D+01 -0.209705D-02  0.530840D+00 -0.275806D-01
      2   0.195182D+01  0.668578D+01 -0.242206D+00 -0.275806D-01  0.295500D-04
      3  -0.209705D-02 -0.242206D+00  0.136772D+01  0.124419D+01  0.897759D+00
               126           127           128           129           130 
      1   0.124419D+01  0.141093D+02  0.131920D+01 -0.314022D+01  0.282392D+01
      2   0.897759D+00  0.131920D+01  0.111829D+01 -0.162905D+00  0.155016D+01
      3  -0.226843D+00 -0.314022D+01 -0.162905D+00  0.197620D+01 -0.806322D+00
               131           132           133           134           135 
      1   0.155016D+01 -0.806322D+00 -0.109119D+01 -0.217315D+00  0.120719D+01
      2   0.273062D+00 -0.493554D+00 -0.217315D+00 -0.139094D-01  0.487800D+00
      3  -0.493554D+00  0.922089D+00  0.120719D+01  0.487800D+00 -0.561615D+00
               136           137           138           139           140 
      1  -0.587752D+00  0.608593D+00 -0.989410D+00  0.127032D+01 -0.102810D+00
      2   0.608593D+00 -0.615346D+00  0.468294D+00 -0.102810D+00  0.799145D+00
      3  -0.989410D+00  0.468294D+00 -0.291178D+01 -0.206199D+00 -0.162685D+01
               141           142           143           144           145 
      1  -0.206199D+00 -0.613094D+00 -0.115220D-01 -0.541403D+00  0.565644D+00
      2  -0.162685D+01 -0.115220D-01 -0.127965D+01  0.164232D+01 -0.838503D+00
      3   0.274403D+01 -0.541403D+00  0.164232D+01 -0.697666D+01 -0.111131D+00
               146           147           148           149           150 
      1  -0.838503D+00 -0.111131D+00 -0.231549D+01  0.785397D+00  0.925811D+00
      2   0.547585D-01  0.526537D-01  0.785397D+00 -0.614472D+01 -0.166383D+01
      3   0.526537D-01 -0.540763D+00  0.925811D+00 -0.166383D+01 -0.194373D+01
               151           152           153           154           155 
      1   0.325609D+00  0.260377D+00 -0.274559D+00  0.186495D+02 -0.332628D+01
      2   0.260377D+00 -0.727761D+00 -0.859859D+00 -0.332628D+01  0.212906D+01
      3  -0.274559D+00 -0.859859D+00 -0.676825D+00  0.755956D+00 -0.194280D+00
               156           157           158           159           160 
      1   0.755956D+00 -0.566663D+01  0.448649D+01 -0.488999D+00  0.141801D+01
      2  -0.194280D+00  0.448649D+01 -0.303211D+01  0.189130D+00 -0.358799D+00
      3   0.289834D+01 -0.488999D+00  0.189130D+00 -0.103825D+01  0.265152D+01
               161           162           163           164           165 
      1  -0.358799D+00  0.265152D+01  0.994749D+01 -0.114075D+01  0.348696D+01
      2  -0.316000D+00 -0.901906D+00 -0.114075D+01  0.114001D+00  0.187119D+00
      3  -0.901906D+00 -0.163036D+00  0.348696D+01  0.187119D+00  0.100662D+01
               166           167           168           169           170 
      1  -0.317513D+01  0.144965D+00 -0.563841D+00  0.184317D+01  0.345074D+00
      2   0.144965D+00  0.255459D+00  0.143818D+01  0.345074D+00  0.472557D+00
      3  -0.563841D+00  0.143818D+01 -0.472932D+00  0.742259D+00  0.232146D+00
               171           172           173           174           175 
      1   0.742259D+00 -0.922392D+01  0.938284D+00 -0.174580D+01  0.259494D+01
      2   0.232146D+00  0.938284D+00 -0.392652D+00 -0.168782D+00 -0.104550D+00
      3   0.715068D+01 -0.174580D+01 -0.168782D+00 -0.248487D+01  0.439561D+00
               176           177           178           179           180 
      1  -0.104550D+00  0.439561D+00 -0.487290D+01  0.893801D-01 -0.195205D+01
      2   0.523093D+00  0.654241D+00  0.893801D-01  0.839353D+00  0.237301D+00
      3   0.654241D+00  0.902052D+00 -0.195205D+01  0.237301D+00  0.352708D+00
               181           182           183           184           185 
      1  -0.120032D+02  0.464391D+00  0.405628D+00  0.522659D+01  0.103728D+00
      2   0.464391D+00 -0.992193D+01  0.128627D+00  0.103728D+00 -0.675712D+01
      3   0.405628D+00  0.128627D+00 -0.197090D+01 -0.214867D+00 -0.116294D+00
               186           187           188           189           190 
      1  -0.214867D+00  0.277196D+00  0.294700D+00 -0.461774D+01 -0.390456D+02
      2  -0.116294D+00  0.294700D+00  0.576915D+00  0.267893D+01  0.897118D+00
      3   0.114069D+01 -0.461774D+01  0.267893D+01  0.999698D+00  0.207692D+01
               191           192           193           194           195 
      1   0.897118D+00  0.207692D+01  0.145525D+02 -0.795369D+00 -0.848263D+00
      2  -0.656258D+01 -0.118719D+00 -0.795369D+00  0.137918D+02  0.196331D+00
      3  -0.118719D+00 -0.338110D+01 -0.848263D+00  0.196331D+00  0.330214D+00
               196           197           198           199           200 
      1   0.246759D+01  0.136220D+00 -0.665173D+01  0.404645D+02 -0.372481D+01
      2   0.136220D+00  0.810551D+00  0.650584D+00 -0.372481D+01  0.838447D+01
      3  -0.665173D+01  0.650584D+00  0.131496D+01 -0.285776D+01  0.615571D-01
               201           202           203           204           205 
      1  -0.285776D+01 -0.173002D+02 -0.127902D+00  0.108515D+01 -0.367508D+01
      2   0.615571D-01 -0.127902D+00 -0.498179D+01  0.632753D-01  0.460407D-02
      3   0.335012D+00  0.108515D+01  0.632753D-01 -0.251312D+01  0.571161D+00
               206           207           208           209           210 
      1   0.460407D-02  0.571161D+00  0.774211D+01  0.131268D+01 -0.531228D+00
      2  -0.649088D+00 -0.351397D+01  0.131268D+01  0.170464D+01  0.299832D-01
      3  -0.351397D+01 -0.293884D+00 -0.531228D+00  0.299832D-01  0.340961D+00
               211           212           213           214           215 
      1   0.266971D+01 -0.138098D+01 -0.324959D+00 -0.633863D+00 -0.103397D+00
      2  -0.138098D+01  0.200818D+01  0.176785D+00 -0.103397D+00 -0.119105D+00
      3  -0.324959D+00  0.176785D+00 -0.883123D+00 -0.490754D+00  0.429545D+00
               216           217           218           219           220 
      1  -0.490754D+00  0.407272D+01 -0.114314D+01 -0.518190D+00 -0.353399D+01
      2   0.429545D+00 -0.114314D+01 -0.254774D+01  0.432705D+00 -0.699558D-01
      3   0.846422D-01 -0.518190D+00  0.432705D+00 -0.211745D+01  0.723546D+00
               221           222           223           224           225 
      1  -0.699558D-01  0.723546D+00 -0.322934D+00  0.458404D+00  0.453517D+00
      2  -0.763471D+00 -0.221862D+00  0.458404D+00  0.249578D-01  0.390853D+01
      3  -0.221862D+00  0.535460D+01  0.453517D+00  0.390853D+01  0.422566D+00
               226           227           228           229           230 
      1   0.855322D+00  0.132901D+01 -0.422112D-01  0.450513D+00  0.775869D+00
      2   0.132901D+01  0.233662D+01 -0.431561D-01  0.775869D+00  0.107020D+02
      3  -0.422112D-01 -0.431561D-01  0.189134D+00  0.578405D-01  0.946117D-01
               231           232           233           234           235 
      1   0.578405D-01 -0.798875D-01 -0.570724D-01 -0.191593D+00 -0.715293D+01
      2   0.946117D-01 -0.570724D-01  0.367100D-01  0.402765D+00  0.449150D+01
      3   0.959526D+00 -0.191593D+00  0.402765D+00  0.644200D-01  0.609095D+00
               236           237           238           239           240 
      1   0.449150D+01  0.609095D+00  0.505871D+01 -0.512932D+01 -0.433121D+00
      2  -0.394510D+01 -0.377572D+00 -0.512932D+01  0.592421D+01  0.486718D+00
      3  -0.377572D+00 -0.743494D+00 -0.433121D+00  0.486718D+00  0.850369D+00
               241           242           243           244           245 
      1   0.768842D+00 -0.463432D+00  0.801521D-01 -0.127047D+01 -0.215649D+01
      2  -0.463432D+00  0.436541D+00  0.430641D+00 -0.215649D+01 -0.116762D+01
      3   0.801521D-01  0.430641D+00  0.778777D-01  0.301538D-01  0.140846D+00
               246           247           248           249           250 
      1   0.301538D-01 -0.333579D+01 -0.315997D+01  0.112600D+00 -0.372153D-02
      2   0.140846D+00 -0.315997D+01 -0.675265D+01  0.818045D-01  0.102269D+00
      3  -0.120778D+00  0.112600D+00  0.818045D-01 -0.696944D+00 -0.111389D+00
               251           252           253           254           255 
      1   0.102269D+00 -0.111389D+00  0.752710D-02  0.164885D+00 -0.800660D+00
      2  -0.573193D-01 -0.227565D-02  0.164885D+00  0.414407D+00 -0.166109D-01
      3  -0.227565D-02 -0.198040D-01 -0.800660D+00 -0.166109D-01  0.895489D+00
               256           257           258           259           260 
      1  -0.645346D+00 -0.144479D+01 -0.955001D+00 -0.318567D+01 -0.185600D+01
      2  -0.144479D+01 -0.270588D+01 -0.189492D+01 -0.185600D+01 -0.238204D+01
      3  -0.955001D+00 -0.189492D+01 -0.229878D+01 -0.167116D+01 -0.254299D+01
               261           262           263           264           265 
      1  -0.167116D+01 -0.156753D+02 -0.131153D+01  0.104747D+01  0.939719D+00
      2  -0.254299D+01 -0.131153D+01 -0.113163D+01  0.619223D-01 -0.118450D+01
      3  -0.486214D+01  0.104747D+01  0.619223D-01 -0.116286D+01 -0.984012D-01
               266           267           268           269           270 
      1  -0.118450D+01 -0.984012D-01  0.105760D+01  0.631361D-01 -0.160527D+01
      2   0.215755D+00  0.125626D+00  0.631361D-01  0.126863D+00 -0.466594D+00
      3   0.125626D+00 -0.121513D+00 -0.160527D+01 -0.466594D+00  0.320387D+00
               271           272           273           274           275 
      1   0.881234D+00  0.458452D+00  0.655173D+00 -0.423667D+00 -0.116443D+01
      2   0.458452D+00  0.880919D+00 -0.527193D+00 -0.116443D+01 -0.297161D+01
      3   0.655173D+00 -0.527193D+00  0.148744D+01  0.659094D+00  0.219062D+01
               276           277           278           279 
      1   0.659094D+00  0.256159D+01  0.132727D+01 -0.132935D+01
      2   0.219062D+01  0.132727D+01  0.236870D+01 -0.277743D+01
      3  -0.254796D+01 -0.132935D+01 -0.277743D+01  0.477646D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.220632D+01  0.281586D+01 -0.879570D-01  0.515509D+01 -0.300701D+01
      2   0.638772D+01 -0.361414D+00 -0.810149D+00  0.103193D+02 -0.140179D+01
      3   0.323420D+02  0.251172D+02 -0.163742D+01  0.507626D+02 -0.144062D+02
                 6             7             8             9            10 
      1  -0.510369D+00 -0.344548D+01  0.716657D+01  0.388348D+00 -0.863064D+00
      2   0.968730D+00 -0.182882D+02  0.152106D+01  0.150844D+01 -0.109142D+02
      3  -0.371972D+01 -0.525785D+00 -0.313300D+01  0.213946D+01 -0.161903D+02
                11            12            13            14            15 
      1   0.400462D+01  0.385056D+00  0.226504D+01 -0.579939D+00  0.543066D+00
      2   0.242615D+00 -0.442860D+01 -0.110212D+02  0.176594D+01  0.385595D+00
      3   0.305330D+02  0.152676D+01  0.363357D+02 -0.222877D+02 -0.347629D+01
                16            17            18            19            20 
      1  -0.288972D+01  0.771444D+01  0.217663D+00 -0.340706D+01 -0.661874D+00
      2  -0.179406D+02  0.803629D+00  0.160325D+01 -0.119160D+02  0.203663D+01
      3   0.259649D+01 -0.364066D+01 -0.109590D+01 -0.416458D+02 -0.189651D+02
                21            22            23            24            25 
      1   0.882496D+00 -0.445107D+00 -0.120988D+01 -0.291041D+01 -0.525301D+01
      2   0.115601D+00  0.517765D+01 -0.101003D+01  0.175905D+01 -0.178115D+02
      3   0.228785D+01  0.149473D+02 -0.164315D+01 -0.324342D+00  0.258246D+01
                26            27            28            29            30 
      1   0.424886D+00 -0.146306D+01 -0.570359D-01  0.925743D+00 -0.226656D+00
      2   0.694084D+01  0.139583D+01  0.128413D+02 -0.102712D+01  0.122929D+01
      3   0.199583D+01 -0.325125D+01  0.163371D+02  0.377257D+01 -0.827647D+00
                31            32            33            34            35 
      1   0.474339D+01  0.244848D+01  0.240562D+01 -0.216873D+01  0.125132D+02
      2  -0.765794D+00  0.203961D+00 -0.137780D+01 -0.123426D+02  0.141525D+01
      3   0.196503D+02 -0.474259D+00 -0.380501D+00  0.843741D+00 -0.148024D+01
                36            37            38            39            40 
      1   0.975316D+00 -0.483905D+00 -0.189837D+01  0.376558D+01 -0.120708D+01
      2   0.158097D+01  0.108113D+01 -0.244669D+00  0.133974D+01 -0.281116D+01
      3   0.367224D+01 -0.205472D+02 -0.165846D+01  0.568831D+00 -0.454971D+01
                41            42            43            44            45 
      1  -0.188866D+01 -0.790603D+00  0.138579D+02  0.627978D+01 -0.915201D+00
      2   0.733100D+00 -0.129795D+01 -0.108408D+02 -0.574797D+01  0.141774D+01
      3  -0.492225D+01 -0.634461D+00 -0.666066D+00 -0.118560D+01 -0.454119D+01
                46            47            48            49            50 
      1   0.152269D+01 -0.833794D+00 -0.382344D+01 -0.102733D+01  0.143704D+01
      2  -0.398836D+01  0.444852D+00  0.119865D+01  0.837241D-01  0.413999D-01
      3   0.376969D+02 -0.280252D+02 -0.249635D+01 -0.824013D+01  0.184798D+02
                51            52            53            54            55 
      1  -0.266842D+01 -0.819041D+01 -0.167005D+01  0.252036D+01  0.171691D+01
      2  -0.683067D+00 -0.174600D+02  0.468772D-01  0.720848D+00  0.338191D-01
      3   0.135517D+01 -0.299641D+01  0.273088D+01  0.476529D+01  0.272352D+02
                56            57            58            59            60 
      1  -0.317136D+01 -0.499717D+01  0.384627D-01  0.175578D+01 -0.292143D+01
      2  -0.926762D+00 -0.403777D+01  0.115737D+00 -0.311775D+00 -0.395886D+01
      3  -0.137533D+02 -0.103941D+01 -0.308573D+00  0.167347D+02  0.274869D+00
                61            62            63            64            65 
      1  -0.779819D+01 -0.302345D+01  0.118622D+01 -0.454903D+00  0.864754D-01
      2  -0.211161D+02 -0.555929D+01  0.169760D+01  0.121767D+00  0.417195D+00
      3  -0.107606D+01  0.145008D+01  0.113919D+02  0.557447D+00  0.916665D+00
                66            67            68            69            70 
      1  -0.117078D+01 -0.552612D+00 -0.165932D+01 -0.400644D+01 -0.115757D+00
      2   0.349541D+00  0.577389D+00  0.575228D+00  0.136955D+01 -0.153629D+01
      3   0.665607D-01  0.492080D+01 -0.477941D+01 -0.313115D-01  0.134324D+00
                71            72            73            74            75 
      1   0.186646D+01  0.210647D+00 -0.577846D+00 -0.624013D+00  0.276620D+01
      2  -0.917316D+00 -0.399223D-01  0.211168D+01 -0.102110D+01  0.173675D+01
      3  -0.372270D+00  0.605905D+00 -0.957403D+01  0.206230D+00  0.918773D+00
                76            77            78            79            80 
      1  -0.100517D+01  0.129314D+01 -0.273294D+01 -0.161253D+01  0.131078D+01
      2  -0.122440D+01  0.103663D+01 -0.230679D+01 -0.256075D+01  0.838930D-02
      3   0.190055D+01  0.231211D+01  0.115025D+00  0.197201D+01  0.151019D+00
                81            82            83            84            85 
      1  -0.193680D-01  0.812432D+00  0.897862D+00 -0.128823D+01  0.364877D+00
      2  -0.230603D-01 -0.303458D+00 -0.394614D+00  0.696888D+00 -0.210100D+00
      3   0.356899D+00  0.527337D+01  0.250148D+01 -0.230418D+00  0.530579D+01
                86            87            88            89            90 
      1   0.276148D+01 -0.444030D+01  0.125615D+01  0.170168D+01 -0.487619D-01
      2  -0.475633D+00  0.103959D+01 -0.377138D+00  0.776140D+00  0.378356D-01
      3   0.371727D+01  0.817387D-01 -0.662352D+00 -0.267650D+00 -0.850422D+00
                91            92            93            94            95 
      1  -0.250941D+01  0.803103D+00  0.805377D+00  0.231155D+01  0.217608D+01
      2  -0.981737D+01  0.123713D+01 -0.779302D+01 -0.109160D+00 -0.885652D+00
      3  -0.109096D+02 -0.321045D+01 -0.201945D+00  0.112899D+02  0.226566D+02
                96            97            98            99           100 
      1  -0.271729D+01  0.313059D+01  0.379072D+01 -0.111726D+01  0.425250D+01
      2   0.392469D+01 -0.349127D+02  0.476617D+01 -0.331349D+01 -0.123109D+02
      3  -0.102432D+01  0.516244D+00  0.100842D+01 -0.870996D+01  0.140417D+02
               101           102           103           104           105 
      1  -0.210619D+01  0.618114D+00  0.517035D+00 -0.107644D+02 -0.669865D+01
      2  -0.453225D+01  0.209726D+02 -0.298409D+01  0.591075D+01 -0.111293D+02
      3  -0.535765D+01 -0.587456D+00 -0.844826D-01 -0.227691D+02 -0.598146D+01
               106           107           108           109           110 
      1  -0.120291D+01 -0.792798D+00  0.707306D+01  0.494225D+01 -0.193474D+01
      2   0.148904D+02 -0.926557D+01  0.828501D+01  0.154929D+02 -0.235960D+01
      3  -0.345829D+01 -0.482700D+01  0.110231D+02  0.126994D+01  0.127390D+02
               111           112           113           114           115 
      1  -0.792758D+01 -0.108671D+02  0.299375D+01 -0.135945D+02 -0.670381D+01
      2   0.267978D+01 -0.307878D+00  0.207175D+01  0.649983D+01  0.993606D+01
      3   0.266524D+01  0.166919D+02 -0.142862D+02  0.101039D+01  0.469759D+01
               116           117           118           119           120 
      1  -0.414483D+01 -0.226934D+01 -0.743049D+00 -0.683238D+00 -0.280832D+00
      2   0.169990D+01  0.307907D+01 -0.523050D-01  0.417873D+00  0.339812D+01
      3  -0.336552D+00  0.424156D+01 -0.742436D+01 -0.261882D+01  0.227444D+00
               121           122           123           124           125 
      1  -0.882659D+00 -0.377259D+01 -0.253942D+01 -0.254485D+00  0.193429D+00
      2   0.110917D+01  0.719148D+00  0.434056D+01  0.250371D+01  0.269567D+01
      3  -0.167553D+01 -0.241794D+02  0.647770D+00  0.766622D+00 -0.148194D+00
               126           127           128           129           130 
      1  -0.514483D-02 -0.220533D+01 -0.306939D+01 -0.115889D+00 -0.306847D+01
      2  -0.153201D+00  0.125127D+02  0.188728D+01  0.569274D+01  0.162830D+01
      3  -0.229410D+01 -0.541859D+01 -0.746996D+01  0.622811D+00 -0.558429D+01
               131           132           133           134           135 
      1  -0.117065D+00 -0.757656D-01  0.657826D+00  0.819938D+00 -0.109088D+01
      2   0.580059D+00  0.295054D+01  0.218290D+01  0.138859D+01  0.768374D-01
      3  -0.562025D+00  0.190083D+01  0.686934D+00  0.146327D+01 -0.200064D+01
               136           137           138           139           140 
      1  -0.181424D+01  0.261626D+01 -0.892573D+00  0.106051D+01 -0.214862D+01
      2  -0.745422D+01  0.333913D+01 -0.127241D+02  0.235950D+01 -0.674517D+01
      3  -0.307940D+01  0.235303D+01 -0.180766D+01  0.211930D+01 -0.268588D+01
               141           142           143           144           145 
      1   0.222003D+01 -0.919616D-01  0.465665D+01 -0.367970D+01  0.282536D+01
      2   0.105578D+02 -0.634731D+01  0.704872D+01 -0.282891D+02 -0.640342D-01
      3   0.609619D+01  0.775969D-01  0.442826D+01 -0.652467D+01  0.530932D+01
               146           147           148           149           150 
      1   0.309783D+00 -0.493074D+00 -0.213680D+00  0.141947D+02  0.425471D+00
      2  -0.130675D+01 -0.175719D+01 -0.942644D+00 -0.552689D+01 -0.605185D+01
      3   0.439130D+00 -0.675321D+00  0.143353D+01  0.268397D+02  0.604434D+01
               151           152           153           154           155 
      1  -0.806097D+00  0.225458D+01  0.158621D+01 -0.431925D+01  0.264710D+01
      2  -0.140664D+01 -0.272805D+01 -0.293367D+01 -0.968909D+01  0.176938D+01
      3  -0.215653D+01  0.257022D+01  0.372565D+01  0.119486D+02 -0.218825D+02
               156           157           158           159           160 
      1   0.424748D+01  0.767098D+01 -0.383021D+01 -0.823074D+00  0.193709D+01
      2   0.214560D+02 -0.224198D+01 -0.212894D+01 -0.922797D+01  0.782712D+01
      3  -0.254671D+00 -0.173309D+02  0.178947D+02 -0.135598D+01  0.255562D+00
               161           162           163           164           165 
      1   0.301385D+01 -0.711028D+00 -0.564813D+01  0.195394D+01  0.990476D+00
      2  -0.387674D+01 -0.219835D+01 -0.877031D+01  0.379608D+01  0.131776D+01
      3  -0.112767D+01  0.357538D+01  0.844780D+01 -0.436048D+01  0.279517D+00
               166           167           168           169           170 
      1   0.503704D+01 -0.228096D+00  0.419663D+01 -0.183892D+01  0.838579D+01
      2   0.537529D+01  0.511062D+01 -0.287112D+01 -0.697157D+01  0.814149D+00
      3  -0.149003D+01 -0.318633D-01 -0.695951D+01 -0.321178D+00 -0.214153D+01
               171           172           173           174           175 
      1  -0.702948D+00  0.627057D+01 -0.226839D+01  0.128624D+01 -0.550838D+01
      2   0.241869D+02  0.194802D+02 -0.327062D+01 -0.520212D+01 -0.524148D+01
      3  -0.109408D+01 -0.750559D+01  0.243336D+01 -0.898252D+00  0.628152D+01
               176           177           178           179           180 
      1   0.645217D+00 -0.232852D+01  0.188011D+01 -0.551327D+00  0.911830D+00
      2   0.296208D+01  0.241366D+01 -0.604918D+00  0.377919D+00  0.276474D+01
      3  -0.109497D+01 -0.721542D+00 -0.341330D+01  0.296744D+00 -0.156530D+01
               181           182           183           184           185 
      1  -0.565079D-01  0.158853D+01  0.517672D+01 -0.784562D+00 -0.856941D+00
      2  -0.144407D+01 -0.304644D+00  0.661288D+01  0.100493D+01  0.112233D+01
      3  -0.211605D+02 -0.105122D+02  0.104682D+01 -0.253526D+01 -0.241141D+02
               186           187           188           189           190 
      1  -0.145279D+01  0.151373D+02  0.716148D+01 -0.217322D+01 -0.170027D+01
      2  -0.215742D+01  0.907524D+00 -0.995566D+01 -0.185526D+01 -0.821829D+01
      3  -0.393155D+00  0.563765D-01 -0.253915D+00 -0.186270D+01 -0.241562D+02
               191           192           193           194           195 
      1   0.379390D+01  0.875976D+00  0.398805D+01 -0.125198D+01  0.382382D+01
      2  -0.315164D+00  0.148956D+01  0.248127D+01 -0.119082D+01 -0.778414D+00
      3   0.163125D+02  0.227659D+01  0.445199D+02  0.214831D+02 -0.331374D+01
               196           197           198           199           200 
      1  -0.234014D+01  0.119896D+02  0.499222D+00  0.323413D+00 -0.293425D+01
      2   0.237592D+01 -0.192184D+01 -0.180772D+01  0.824291D+01  0.211690D+00
      3   0.352034D+01 -0.218965D+01  0.361240D-01  0.646062D+01 -0.196294D+02
               201           202           203           204           205 
      1  -0.265291D-01 -0.930702D+00  0.991339D+00 -0.298091D+01 -0.104826D+01
      2   0.242695D+01 -0.285639D+01 -0.303011D+00  0.519689D+01 -0.218468D+02
      3  -0.145768D+01 -0.121905D+02 -0.640620D+00  0.162989D+01 -0.212380D+01
               206           207           208           209           210 
      1   0.318404D+01  0.396605D+00  0.134479D+01 -0.337515D+01 -0.103886D+01
      2   0.125107D+02  0.194870D+01  0.193678D+01  0.457803D+00  0.997895D+01
      3   0.191844D+01 -0.652276D+01  0.199310D+02 -0.347262D+02 -0.202824D+01
               211           212           213           214           215 
      1  -0.909739D-01  0.214443D+00 -0.678599D+01  0.339050D+01  0.425949D+00
      2   0.121723D+01 -0.479058D+00  0.711620D+01 -0.367576D+01 -0.439068D+01
      3   0.330518D+01  0.608248D+01  0.450744D+00 -0.187844D+01  0.294544D+01
               216           217           218           219           220 
      1  -0.310299D+00 -0.179526D+01  0.541314D+00 -0.330442D+01  0.232163D+00
      2  -0.612766D+00  0.242241D+01 -0.219321D+01  0.121049D+02 -0.329915D+01
      3   0.158138D+01 -0.286605D+02 -0.122062D+02  0.525159D+01 -0.447628D+01
               221           222           223           224           225 
      1   0.954338D+00  0.896121D+01  0.831323D+01  0.107684D+02  0.167819D+01
      2   0.910433D+00 -0.311101D+02 -0.240589D+01 -0.218091D+02 -0.252625D+01
      3   0.144833D+02 -0.130186D+01  0.437263D+01 -0.791529D+00  0.286091D+02
               226           227           228           229           230 
      1   0.281132D+00  0.247684D+00 -0.140254D+01 -0.134374D+00 -0.253553D+00
      2   0.356232D-01  0.936059D-01  0.186720D+00 -0.135949D+00 -0.361902D+00
      3   0.738078D+01  0.671508D+01 -0.350071D+00  0.543538D+01  0.226617D+02
               231           232           233           234           235 
      1  -0.489244D+01  0.957636D+00  0.158948D+01 -0.171918D+00 -0.875994D+00
      2  -0.774167D+00  0.273668D+00 -0.221863D+00 -0.112322D+00 -0.140695D+01
      3   0.347835D+00 -0.556727D+00 -0.189511D+00 -0.933741D-01 -0.478562D+00
               236           237           238           239           240 
      1   0.234805D+00  0.260244D+01  0.287199D+00 -0.140383D+00 -0.310962D+01
      2   0.894486D+00  0.382173D+01  0.953958D+00 -0.122783D+01 -0.412392D+01
      3  -0.652102D+01 -0.783996D-01 -0.679652D+01  0.120708D+02  0.887989D+00
               241           242           243           244           245 
      1  -0.213410D+01  0.682021D+00 -0.251914D-01  0.246067D+00  0.313042D+00
      2  -0.233816D+01 -0.159977D+01 -0.252600D+00 -0.291353D+00 -0.535933D+00
      3   0.202432D+00  0.616593D+00  0.171137D+01 -0.206103D+01 -0.138743D+01
               246           247           248           249           250 
      1  -0.628529D+00  0.466736D+00  0.194527D+00 -0.303680D+01 -0.427656D+00
      2   0.455165D+00 -0.503428D+00 -0.302444D+00  0.214609D+01 -0.125733D+01
      3   0.165677D+00 -0.137733D+00 -0.162918D+02 -0.160361D+00  0.221626D+00
               251           252           253           254           255 
      1   0.151443D+01  0.411035D-01 -0.919428D+00  0.113413D+00  0.195871D+01
      2  -0.115471D+01  0.786728D-01  0.597169D+01  0.457042D+00 -0.429211D+01
      3  -0.420586D+00  0.325817D+00 -0.127521D+01  0.439215D+01  0.176388D+01
               256           257           258           259           260 
      1  -0.899815D+00 -0.275134D+01 -0.502432D+01 -0.287943D+01 -0.252940D+01
      2   0.461880D+01  0.100269D+02  0.128162D+02  0.482583D+01  0.138070D+02
      3  -0.444547D+01 -0.176893D+02 -0.114772D+02 -0.546936D+01 -0.146692D+02
               261           262           263           264           265 
      1  -0.932640D+01  0.107981D+01 -0.466592D+00 -0.153146D+01 -0.310291D+00
      2   0.261760D+02 -0.237585D+01 -0.484424D-01  0.859326D+01  0.378640D+00
      3  -0.170872D+02  0.116248D+02 -0.835264D+01 -0.105860D+01 -0.585019D+01
               266           267           268           269           270 
      1   0.226359D+00 -0.901809D+00 -0.210293D+01 -0.264588D+00  0.233206D+00
      2  -0.440628D+00  0.693786D+00  0.730541D+01  0.242593D+01 -0.153914D+01
      3   0.270593D+01  0.778920D+00 -0.111508D+01  0.998811D+00 -0.169543D+01
               271           272           273           274           275 
      1   0.606428D+00  0.133919D+00  0.287567D+01  0.245030D+00  0.114451D+01
      2  -0.611082D+01  0.216831D+01 -0.730964D+01 -0.274614D+01 -0.109787D+02
      3  -0.140387D+01  0.721729D+01 -0.506413D+01 -0.267220D+01 -0.196257D+02
               276           277           278           279 
      1  -0.413197D+01 -0.157988D+01 -0.144336D+01  0.713704D+01
      2   0.136700D+02  0.248071D+01  0.144635D+02 -0.244479D+02
      3   0.131804D+02  0.291640D+01  0.146007D+02 -0.185723D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715842D+02  0.292766D+02  0.473227D+01 -0.877644D+02 -0.364580D+01
      2   0.357868D+02 -0.202359D+02 -0.296351D+01  0.346678D+02  0.151117D+02
      3   0.357975D+02 -0.904071D+01 -0.176876D+01  0.530966D+02 -0.114659D+02
      4  -0.129248D+01  0.214854D+02  0.736365D+00  0.113820D+02 -0.257982D+02
      5  -0.358116D+00 -0.177012D+01 -0.305744D+01 -0.409161D+01  0.175234D+01
      6   0.409837D+00 -0.188564D+01  0.956640D+00  0.216928D+01 -0.158069D+01
                 6             7             8             9            10 
      1   0.705177D+01  0.415960D+01 -0.189547D+01 -0.105597D+02  0.713249D+02
      2  -0.239453D+01 -0.256110D+01  0.210204D+01 -0.427115D+00 -0.192564D+02
      3  -0.465725D+01 -0.159851D+01 -0.206566D+00  0.109868D+02 -0.520685D+02
      4  -0.145370D+01  0.244260D+00 -0.201103D+01 -0.204662D+01  0.371868D+02
      5   0.367045D+01  0.687478D+00 -0.801205D+00  0.181981D+01  0.120944D+01
      6  -0.637652D+00  0.284926D+01  0.439155D+01 -0.100326D+01 -0.300373D+01
                11            12            13            14            15 
      1   0.243934D+02 -0.648770D+01  0.972188D+02 -0.243146D+02 -0.756484D+01
      2  -0.198640D+02  0.849079D+00 -0.375042D+02  0.155362D+02  0.324561D+01
      3  -0.452940D+01  0.563862D+01 -0.597145D+02  0.877839D+01  0.431923D+01
      4   0.177911D+02 -0.162653D+01 -0.285925D+02  0.190499D+02  0.219522D+01
      5  -0.175554D+01 -0.111140D+02  0.272256D+01 -0.105341D+00 -0.118077D+01
      6  -0.103515D-01  0.445611D+00 -0.730568D+00  0.203300D+01 -0.160799D+01
                16            17            18            19            20 
      1  -0.428769D+01 -0.241187D+01 -0.495178D+01  0.467002D+02 -0.340008D+02
      2  -0.208700D+00  0.163571D+01 -0.377675D+01 -0.180686D+02  0.216198D+02
      3   0.449639D+01  0.776165D+00  0.872852D+01 -0.286316D+02  0.123810D+02
      4  -0.352076D+01 -0.947010D+00  0.363419D+01 -0.957707D+01 -0.259369D+02
      5   0.288970D+01  0.174502D+01  0.236852D+01  0.347346D+01  0.165606D+01
      6   0.174984D+01  0.292600D+01  0.118285D+00 -0.876651D+00  0.535646D+01
                21            22            23            24            25 
      1  -0.667410D+01  0.114569D+02  0.193593D+02  0.257751D+01 -0.429805D+01
      2   0.310100D+01 -0.223256D+02 -0.243090D+02  0.181895D+00  0.859450D+00
      3   0.357310D+01  0.108686D+02  0.494976D+01 -0.275941D+01  0.343860D+01
      4   0.417155D+00  0.101748D+02 -0.101480D+01 -0.361971D+00  0.256143D+01
      5  -0.236876D+01 -0.212949D+01  0.133325D+00  0.685078D+01  0.924907D+01
      6  -0.669458D+00  0.555598D+00 -0.207740D+01  0.570464D+01  0.255330D+01
                26            27            28            29            30 
      1   0.774435D+01 -0.122742D+02  0.924922D+01 -0.480794D+01  0.277137D+01
      2  -0.302446D+01  0.251270D+00 -0.273291D+02  0.397010D+01 -0.134545D+00
      3  -0.471989D+01  0.120229D+02  0.180799D+02  0.837837D+00 -0.263682D+01
      4   0.208531D+01  0.623790D+01 -0.291601D+00  0.134813D+02  0.558986D+00
      5   0.842767D+01  0.270789D+01 -0.861117D+01  0.228945D+01  0.945540D+01
      6   0.130885D+02 -0.224630D+01  0.147358D+01 -0.232052D+01  0.212279D+01
                31            32            33            34            35 
      1   0.407009D+02 -0.498723D+02 -0.253001D+01  0.598352D+01 -0.237366D+01
      2  -0.297583D+02  0.432656D+02  0.242221D+01 -0.521177D+00  0.118326D+01
      3  -0.109427D+02  0.660672D+01  0.107800D+00 -0.546234D+01  0.119040D+01
      4  -0.322991D+02 -0.181997D+02  0.745312D+00 -0.245641D+01 -0.757231D+00
      5  -0.209630D+01  0.202682D+01 -0.180575D+01  0.298939D+02 -0.399418D+01
      6   0.111403D+01  0.542229D+01 -0.421043D+01  0.386410D+01  0.294545D+01
                36            37            38            39            40 
      1   0.395668D+00 -0.195457D+02  0.517978D+02  0.397225D+01 -0.386328D+02
      2  -0.113229D+02  0.102789D+02 -0.357988D+02 -0.142168D+01  0.388697D+02
      3   0.109272D+02  0.926687D+01 -0.159990D+02 -0.255057D+01 -0.236875D+00
      4  -0.573533D+00  0.279875D+02  0.580486D+01 -0.275150D+01  0.181683D+02
      5  -0.169200D+01  0.990435D+00 -0.481923D+01  0.317679D+01  0.322978D+01
      6  -0.712923D+00 -0.383009D+01 -0.401837D+01 -0.684082D+01 -0.108809D+01
                41            42            43            44            45 
      1   0.285883D+02  0.158933D+01  0.315016D+01 -0.604690D+01 -0.115284D+02
      2  -0.270244D+02 -0.293227D+01  0.242962D+01  0.174725D+01 -0.167624D+01
      3  -0.156393D+01  0.134294D+01 -0.557978D+01  0.429964D+01  0.132046D+02
      4   0.253235D+02  0.140345D+00 -0.395796D+01  0.100833D+01 -0.609056D+01
      5  -0.128217D+01 -0.703384D+01  0.137493D+02 -0.623754D+01 -0.205528D+01
      6  -0.407270D+01  0.234194D+01 -0.168468D+02  0.840019D+01  0.439657D+01
                46            47            48            49            50 
      1   0.290522D+02 -0.443189D+02 -0.575441D+01  0.783197D+01  0.125836D+02
      2  -0.217297D+02  0.298490D+02  0.234270D+01 -0.670460D+01 -0.207061D+02
      3  -0.732252D+01  0.144698D+02  0.341171D+01 -0.112737D+01  0.812251D+01
      4  -0.330773D+02 -0.160471D+02  0.228402D+01  0.187500D+02 -0.715816D+01
      5   0.232600D+01  0.276949D+01  0.106770D+01  0.450053D+00 -0.101840D+01
      6   0.250024D+01  0.585479D+01  0.561931D+01 -0.139860D+01 -0.601151D+00
                51            52            53            54            55 
      1  -0.444793D+00 -0.435363D+01  0.356142D+01 -0.184309D+02 -0.188815D+02
      2  -0.818627D+00  0.234552D+01 -0.504838D+01  0.733637D+01  0.130798D+01
      3   0.126342D+01  0.200811D+01  0.148695D+01  0.110945D+02  0.175735D+02
      4  -0.124209D+01  0.370825D+01  0.323709D+01  0.199789D+01  0.129232D+02
      5   0.146955D+00  0.402710D+01  0.571902D+00  0.240602D+01 -0.315984D+01
      6   0.641662D+01  0.476371D+01  0.183819D+02  0.844734D+00  0.121798D+01
                56            57            58            59            60 
      1  -0.367817D+02 -0.192921D+01  0.718402D+00  0.201932D+02  0.591761D+00
      2   0.326822D+02  0.153136D+01 -0.309091D+01 -0.252462D+02 -0.420708D+00
      3   0.409943D+01  0.397851D+00  0.237251D+01  0.505299D+01 -0.171053D+00
      4  -0.566407D+02 -0.211178D+01  0.143762D+02 -0.429729D+01 -0.129342D+00
      5   0.177579D+01 -0.658948D+01  0.699516D+00 -0.535915D+00 -0.586326D+01
      6   0.298166D+01  0.798641D+01 -0.559313D+00 -0.609267D+00  0.771545D+01
                61            62            63            64            65 
      1  -0.262104D+00  0.316364D+01 -0.250250D+02 -0.160547D+01 -0.371166D+01
      2   0.956086D+00 -0.361981D+01  0.122804D+02  0.559910D+01  0.615967D+01
      3  -0.693982D+00  0.456164D+00  0.127446D+02 -0.399362D+01 -0.244801D+01
      4  -0.142638D+01  0.728629D+01 -0.934425D+01  0.823053D+01  0.114791D+02
      5  -0.115756D+01 -0.137597D+02  0.286647D+01 -0.727318D+00 -0.692770D+00
      6   0.453783D+01  0.225292D+02 -0.146209D+01 -0.128415D+01 -0.135286D+01
                66            67            68            69            70 
      1   0.944098D-01 -0.785689D+01 -0.300732D+02  0.111251D+01 -0.646637D+00
      2  -0.269388D-01  0.119919D+02  0.396351D+02 -0.732283D+00  0.420364D+00
      3  -0.674710D-01 -0.413502D+01 -0.956192D+01 -0.380230D+00  0.226273D+00
      4  -0.415433D+00  0.126077D+02  0.216209D+02 -0.400025D+00 -0.332837D+00
      5   0.138155D+01 -0.527322D+00  0.352966D+00  0.229576D+01  0.681538D-01
      6   0.139469D+01 -0.157856D+01 -0.466530D+01  0.626246D+01  0.177530D+01
                71            72            73            74            75 
      1  -0.184006D+00 -0.311825D+01  0.777237D+01  0.158164D+01 -0.136635D+00
      2   0.213393D+00  0.384366D+01  0.682981D+00 -0.766661D+01  0.368125D+00
      3  -0.293870D-01 -0.725414D+00 -0.845535D+01  0.608496D+01 -0.231490D+00
      4  -0.428765D+00  0.111076D+01 -0.220009D+02  0.176898D+02  0.146924D+01
      5   0.155078D+00 -0.333837D+00 -0.515052D+01  0.190726D+01  0.466740D+01
      6   0.305101D+01 -0.370218D+00  0.275285D+01 -0.233723D+01 -0.278078D+01
                76            77            78            79            80 
      1   0.492819D+01 -0.125251D+02 -0.156146D+01 -0.938721D+00 -0.520594D+00
      2  -0.130894D+02  0.217613D+02  0.117754D+01  0.188131D+00  0.591508D+00
      3   0.816125D+01 -0.923615D+01  0.383918D+00  0.750590D+00 -0.709141D-01
      4   0.230449D+02 -0.251029D+02 -0.205240D+01  0.156442D+01 -0.122561D+01
      5   0.266944D+01 -0.240582D+01 -0.350307D+01  0.131441D+01 -0.178205D+01
      6  -0.369594D+01  0.464690D+01  0.498079D+01  0.295370D+00  0.255542D+01
                81            82            83            84            85 
      1   0.294625D+00 -0.382994D+01 -0.762527D+01  0.236017D+00 -0.593412D+01
      2   0.911716D+00  0.659324D+01  0.110081D+02 -0.203091D+00  0.766748D+01
      3  -0.120634D+01 -0.276330D+01 -0.338278D+01 -0.329264D-01 -0.173336D+01
      4  -0.280392D+01  0.486068D+01  0.120338D+02  0.231743D+00  0.765005D+01
      5  -0.701510D+00  0.876684D+00  0.124209D+01  0.188792D+01  0.784664D+00
      6   0.576913D+00  0.649527D+00  0.465482D+00  0.174515D+01  0.846683D+00
                86            87            88            89            90 
      1  -0.459704D+02 -0.938648D+00  0.626736D+00 -0.114948D+00 -0.237754D+01
      2   0.606063D+02  0.466379D+00 -0.431241D+00 -0.432859D-01  0.296892D+01
      3  -0.146359D+02  0.472269D+00 -0.195495D+00  0.158234D+00 -0.591385D+00
      4   0.144295D+02  0.381251D+00 -0.172369D+00 -0.578832D+00  0.215942D+01
      5   0.290655D+01  0.123988D+01  0.993438D+00  0.163404D+01  0.574758D-02
      6   0.461245D+01  0.737925D+01 -0.180991D+00  0.411256D+01  0.212295D+00
                91            92            93            94            95 
      1  -0.654557D+01  0.781365D+01 -0.925014D+01  0.111335D+02  0.914383D+01
      2   0.151193D+02 -0.791798D+01 -0.529508D+00 -0.134433D+02 -0.172160D+02
      3  -0.857373D+01  0.104330D+00  0.977965D+01  0.230984D+01  0.807215D+01
      4   0.913329D+01 -0.237649D+01 -0.241309D+00 -0.537839D+01 -0.415375D+02
      5  -0.113223D+01 -0.178579D+01 -0.242621D+02 -0.111246D+02  0.151713D+00
      6  -0.237569D+01  0.188196D+01  0.438510D+00  0.232214D+00  0.595651D+01
                96            97            98            99           100 
      1  -0.473403D+01 -0.422153D+01 -0.256067D+00 -0.254433D+02 -0.670826D+02
      2   0.745898D+01 -0.560798D+01  0.496127D+00  0.207040D+02  0.359726D+02
      3  -0.272495D+01  0.982952D+01 -0.240060D+00  0.473935D+01  0.311100D+02
      4  -0.720999D-01 -0.268722D+01 -0.206896D+01  0.844527D+01 -0.232877D+02
      5   0.854923D+01 -0.577798D+02  0.975145D+01  0.517124D+01  0.322604D+02
      6   0.116060D+01  0.120962D+01  0.101915D+01 -0.326352D+01  0.105990D+02
               101           102           103           104           105 
      1  -0.179663D+02  0.284742D+02 -0.290531D+02  0.110592D+02 -0.599508D+01
      2   0.726116D+01 -0.154821D+01  0.203018D+02 -0.738773D+01 -0.100964D+02
      3   0.107051D+02 -0.269260D+02  0.875128D+01 -0.367150D+01  0.160915D+02
      4   0.464538D+01 -0.319676D+00  0.227842D+01  0.370297D+02  0.100400D+02
      5   0.415878D+01  0.182599D+02  0.152592D+02  0.657739D+01 -0.180369D+02
      6  -0.295248D+01  0.213283D+01 -0.137594D+01 -0.179856D+02 -0.651145D+01
               106           107           108           109           110 
      1   0.371108D+01 -0.746245D+01  0.342501D+02 -0.879339D+02  0.174638D+02
      2   0.152123D+02 -0.521314D+01 -0.145492D+02  0.366502D+02 -0.180360D+01
      3  -0.189234D+02  0.126756D+02 -0.197009D+02  0.512837D+02 -0.156602D+02
      4   0.208104D+01  0.726255D+01 -0.160437D+02  0.288714D+02 -0.205221D+02
      5   0.399135D+02 -0.145866D+02 -0.159952D+02 -0.931789D+01  0.540049D+01
      6  -0.135638D+01 -0.407424D+01  0.137053D+02  0.555163D+01 -0.156081D+01
               111           112           113           114           115 
      1  -0.195035D+01  0.281077D+02 -0.127256D+02  0.158411D+01  0.209469D+02
      2   0.626525D+00 -0.683626D+01  0.884333D+01 -0.107251D+01 -0.138169D+02
      3   0.132382D+01 -0.212714D+02  0.388231D+01 -0.511602D+00 -0.713005D+01
      4   0.253246D+01 -0.432513D+01  0.205607D+02  0.206134D+01  0.422441D-01
      5  -0.472121D+01  0.978126D+01  0.721444D-01  0.218526D+01  0.230226D+02
      6   0.328743D+01 -0.190853D+01  0.290816D+01  0.782246D+00 -0.333595D+01
               116           117           118           119           120 
      1   0.116868D+01  0.226870D+02 -0.406892D+01  0.706392D+01  0.176197D+01
      2   0.322563D+00 -0.479852D+01  0.760236D+01 -0.173333D+01 -0.724238D+00
      3  -0.149124D+01 -0.178885D+02 -0.353345D+01 -0.533059D+01 -0.103774D+01
      4   0.359683D+01 -0.485449D+01  0.126733D+02  0.107793D+02 -0.954057D+00
      5  -0.521401D+01  0.834117D+01  0.973953D+00 -0.138029D+01  0.744299D+01
      6  -0.354437D+01 -0.212926D+01 -0.140362D+01 -0.944992D+00  0.164867D+00
               121           122           123           124           125 
      1   0.100774D+02 -0.127802D+02  0.263482D+01  0.285028D+01 -0.106038D+00
      2  -0.165634D+00  0.271452D+02 -0.139276D+01 -0.141363D+01  0.179283D+01
      3  -0.991179D+01 -0.143650D+02 -0.124206D+01 -0.143665D+01 -0.168680D+01
      4   0.183288D+02  0.497069D+02 -0.178351D+01 -0.433412D-01  0.398917D+00
      5  -0.372338D+00 -0.164783D+01  0.993210D+01  0.983532D+01  0.582765D+01
      6  -0.162174D+01 -0.653938D+01  0.458075D+01  0.156757D+01  0.547091D+01
               126           127           128           129           130 
      1   0.123553D+01  0.108723D+03  0.114297D+02 -0.188176D+02  0.200016D+02
      2  -0.161696D+00 -0.638131D+02 -0.538332D+01  0.162296D+02 -0.109023D+02
      3  -0.107384D+01 -0.449101D+02 -0.604639D+01  0.258793D+01 -0.909931D+01
      4   0.629214D+01  0.171540D+02  0.138749D+02 -0.284799D+01  0.190202D+02
      5  -0.151762D+01 -0.578851D+02 -0.494242D+01  0.260324D+02 -0.123992D+02
      6  -0.844652D+00 -0.712256D+01 -0.528298D+01  0.141434D+01 -0.684092D+01
               131           132           133           134           135 
      1   0.104801D+02 -0.209647D+01 -0.741425D+01  0.417530D+00  0.800253D+01
      2  -0.447833D+01  0.401476D+01  0.800249D+01  0.158399D+01 -0.745758D+01
      3  -0.600174D+01 -0.191830D+01 -0.588247D+00 -0.200152D+01 -0.544949D+00
      4   0.376405D+01 -0.515146D+01 -0.141015D+01 -0.188556D+01  0.447423D+01
      5  -0.719873D+01  0.836381D+01  0.169038D+02  0.416451D+01 -0.843072D+01
      6  -0.806350D+00  0.340175D+01  0.161246D+01  0.154107D+01 -0.224354D+01
               136           137           138           139           140 
      1  -0.611324D+01  0.741336D+01 -0.215822D+02  0.802273D+01 -0.106764D+02
      2  -0.952083D+00 -0.197921D+01 -0.992590D+00 -0.490625D+01  0.198990D+01
      3   0.706532D+01 -0.543415D+01  0.225748D+02 -0.311649D+01  0.868651D+01
      4   0.413807D+01 -0.376262D+01  0.253369D+01  0.868043D+00  0.484039D+01
      5  -0.180067D+01 -0.272865D+00 -0.996455D+01 -0.576999D+01 -0.809078D+01
      6  -0.363885D+01  0.443890D+01 -0.398444D+01  0.480731D+00 -0.642284D+01
               141           142           143           144           145 
      1   0.121773D+02 -0.946645D+01  0.853113D+01 -0.380696D+02  0.642251D+01
      2   0.350630D+01  0.280955D+01  0.225449D+01 -0.124490D+02 -0.148099D+01
      3  -0.156836D+02  0.665690D+01 -0.107856D+02  0.505186D+02 -0.494151D+01
      4  -0.110856D+02 -0.645944D+00 -0.866360D+01  0.120982D+02 -0.580780D+01
      5   0.160308D+02  0.415905D+01  0.908703D+01 -0.371712D+02 -0.388271D+01
      6   0.120392D+02 -0.196592D+00  0.915216D+01 -0.124369D+02  0.292366D+01
               146           147           148           149           150 
      1  -0.595777D+01 -0.517740D+01 -0.110278D+02 -0.103231D+02 -0.290268D+01
      2   0.325701D+01  0.389154D+00  0.702778D+01  0.137085D+02 -0.234121D+01
      3   0.270075D+01  0.478825D+01  0.400006D+01 -0.338539D+01  0.524390D+01
      4   0.323141D+01  0.105401D+01  0.106202D+02 -0.472928D+02 -0.127947D+02
      5   0.282908D+01 -0.136540D+01  0.117147D+02 -0.117855D+02 -0.148972D+02
      6  -0.668373D-01 -0.906798D-01 -0.403488D+01  0.262656D+02  0.110014D+02
               151           152           153           154           155 
      1  -0.221719D+00 -0.231722D+01 -0.726961D+01  0.186773D+03 -0.295352D+02
      2  -0.110985D+01 -0.707393D+00  0.167678D+01 -0.868381D+02  0.899925D+01
      3   0.133157D+01  0.302462D+01  0.559283D+01 -0.999345D+02  0.205360D+02
      4   0.210370D+01 -0.558716D+01 -0.623419D+01 -0.405756D+02  0.384831D+02
      5  -0.518162D+00 -0.617937D+01 -0.310772D+01  0.300167D+02 -0.550814D+01
      6  -0.154660D+01  0.756080D+01  0.416873D+01 -0.489204D+01  0.469559D+01
               156           157           158           159           160 
      1   0.398302D+01 -0.401623D+02  0.340902D+02 -0.223042D+00  0.689504D+01
      2  -0.703750D+01  0.132180D+02 -0.859463D+01  0.157922D+01 -0.776076D+01
      3   0.305448D+01  0.269442D+02 -0.254956D+02 -0.135618D+01  0.865723D+00
      4  -0.193940D+01  0.523780D+02 -0.370907D+02  0.215509D+01 -0.304285D+01
      5   0.357601D+02 -0.856688D+01  0.690773D+01 -0.120668D+02  0.354822D+02
      6  -0.196074D+01  0.886585D+01 -0.636588D+01  0.561025D+01 -0.402944D+01
               161           162           163           164           165 
      1  -0.707241D+00  0.206079D+02  0.420591D+02 -0.808761D+01  0.142320D+02
      2   0.109861D+01 -0.138895D+02 -0.302245D+02  0.326381D+01 -0.916319D+01
      3  -0.391370D+00 -0.671839D+01 -0.118346D+02  0.482381D+01 -0.506882D+01
      4   0.764434D+00 -0.828343D+01 -0.781532D+01  0.804261D+01  0.133090D+01
      5  -0.912583D+01  0.517569D+01  0.296017D+02 -0.806732D+00  0.183434D+02
      6   0.527075D+01 -0.199271D+01 -0.347197D+01  0.149624D+01  0.534844D+00
               166           167           168           169           170 
      1  -0.153821D+02 -0.666579D+01  0.182219D+00 -0.882637D+00 -0.483265D-01
      2   0.832519D+01  0.171074D+01  0.619055D+00 -0.310564D+01 -0.464572D+00
      3   0.705694D+01  0.495505D+01 -0.801273D+00  0.398827D+01  0.512899D+00
      4   0.591497D+01  0.165592D+01  0.106835D+02  0.318367D+01  0.452447D+01
      5  -0.673091D+01  0.107901D+02 -0.283930D+01  0.159566D+02  0.295653D+01
      6   0.129478D+01  0.846895D+00  0.117575D+02  0.243908D+01  0.108123D+02
               171           172           173           174           175 
      1  -0.307530D+02 -0.441660D+02  0.716093D+01  0.548883D+01  0.136900D+02
      2  -0.138776D+02  0.276524D+02 -0.364143D+01  0.493182D+01 -0.877932D+01
      3   0.446306D+02  0.165136D+02 -0.351951D+01 -0.104206D+02 -0.491063D+01
      4   0.521780D+01  0.623905D+01 -0.474070D+01 -0.915198D+00 -0.997482D+00
      5   0.436232D+02 -0.232920D+02  0.144478D+01 -0.136001D+02  0.609683D+01
      6   0.365084D+01  0.315520D+01 -0.366916D+01 -0.153662D+01 -0.102295D+01
               176           177           178           179           180 
      1  -0.622096D+01 -0.183256D+01 -0.850111D+01  0.327935D+00 -0.874105D+01
      2   0.387236D+01 -0.902315D+00  0.107673D+02 -0.610041D+00  0.461637D+01
      3   0.234859D+01  0.273487D+01 -0.226618D+01  0.282106D+00  0.412468D+01
      4   0.222866D+01  0.302925D+01  0.199555D+01  0.333906D-01  0.112822D+01
      5   0.172002D+01  0.465378D+01 -0.108332D+02  0.103098D+01 -0.306519D+01
      6   0.228909D+01  0.330466D+01 -0.662281D+00  0.111224D+01  0.865520D+00
               181           182           183           184           185 
      1   0.261780D+02  0.528391D+02  0.709309D+00 -0.418688D+02  0.211830D+02
      2  -0.129716D+02 -0.424299D+02 -0.516682D+00  0.336335D+02 -0.257757D+02
      3  -0.132064D+02 -0.104092D+02 -0.192627D+00  0.823530D+01  0.459270D+01
      4   0.956398D+01  0.372124D+02 -0.296518D+01  0.667686D+00  0.420952D+02
      5   0.543795D+01 -0.570991D+01  0.119840D+02  0.102116D+01  0.797854D+00
      6  -0.379329D+01  0.170373D+01 -0.873113D+01  0.116937D+01 -0.170185D+01
               186           187           188           189           190 
      1   0.244224D+01  0.147254D+01 -0.623019D+01  0.433103D+01  0.141705D+03
      2  -0.252299D+01  0.901279D+00  0.338041D+01 -0.773089D+01 -0.712983D+02
      3   0.807561D-01 -0.237382D+01  0.284978D+01  0.339986D+01 -0.704064D+02
      4   0.160085D+01 -0.515111D+01 -0.417422D+00 -0.216512D+02  0.122312D+02
      5  -0.736470D+01  0.326591D+02 -0.172442D+02 -0.305144D+01  0.123509D+01
      6   0.301820D+01 -0.225935D+02  0.125771D+02  0.330831D+01 -0.185787D+01
               191           192           193           194           195 
      1  -0.167666D+01 -0.862178D+01 -0.314363D+02 -0.431347D+02  0.675313D+00
      2  -0.964274D+01  0.261432D+01  0.244439D+01  0.465669D+02  0.146785D+01
      3   0.113194D+02  0.600746D+01  0.289919D+02 -0.343217D+01 -0.214316D+01
      4   0.212654D+02 -0.650468D+00 -0.398114D+02 -0.660515D+02  0.132151D+01
      5   0.522819D+00  0.493846D+01 -0.205225D+01  0.129436D+01 -0.144413D+01
      6   0.967282D+00 -0.245911D+01  0.267772D+01  0.850078D+00 -0.636917D+01
               196           197           198           199           200 
      1  -0.476977D+01 -0.207397D+01  0.229593D+02 -0.110136D+03 -0.248906D+02
      2   0.235828D+01  0.236670D+01 -0.206409D+02  0.382894D+02  0.260792D+02
      3   0.241149D+01 -0.292733D+00 -0.231838D+01  0.718463D+02 -0.118859D+01
      4  -0.342630D+01 -0.277122D+01 -0.107234D+01 -0.347944D+02 -0.369624D+02
      5   0.472653D+02 -0.552525D+01 -0.381919D+01  0.123552D+01  0.345149D+01
      6  -0.144825D+01  0.321118D+01 -0.287327D+00  0.395951D+01  0.104075D+01
               201           202           203           204           205 
      1   0.673771D+01  0.792144D+02  0.144043D+02 -0.416552D+01  0.961753D+01
      2  -0.238061D+01 -0.468884D+02 -0.227653D+02  0.218142D+01 -0.416286D+01
      3  -0.435710D+01 -0.323260D+02  0.836105D+01  0.198410D+01 -0.545466D+01
      4   0.308170D+01  0.239627D+02  0.191446D+02 -0.160801D+01  0.513656D+01
      5   0.560452D+01 -0.163044D+01 -0.741083D+00  0.113148D+02  0.103867D+01
      6  -0.172678D+00 -0.188040D+01 -0.613720D+00  0.649411D+01  0.164427D+01
               206           207           208           209           210 
      1   0.514038D+01 -0.172495D+02  0.172797D+02 -0.612086D+01  0.174049D+01
      2  -0.413667D+01 -0.121484D+01 -0.133126D+02  0.540659D+01  0.923037D+00
      3  -0.100371D+01  0.184643D+02 -0.396709D+01  0.714266D+00 -0.266353D+01
      4   0.346962D+01  0.162024D+02 -0.174586D+02  0.113250D+02  0.763824D+00
      5   0.205548D+02  0.325755D+01 -0.231770D+01 -0.142418D+00  0.196382D+02
      6   0.107296D+02 -0.193538D+00  0.998151D+00 -0.136395D+01  0.300845D+01
               211           212           213           214           215 
      1  -0.213475D+02  0.440509D+01  0.366302D+01  0.693557D+00 -0.159714D+00
      2   0.121357D+02 -0.258057D+01 -0.174215D+01  0.106730D+01 -0.508336D+00
      3   0.921179D+01 -0.182453D+01 -0.192087D+01 -0.176086D+01  0.668051D+00
      4   0.242138D+02 -0.186142D+02 -0.143639D+01  0.111946D+01 -0.756768D+00
      5   0.283202D+01 -0.474672D+00  0.132681D+02  0.144419D+02 -0.496696D+01
      6  -0.338470D+00  0.338219D+00  0.115555D+02 -0.123390D+01  0.405834D+01
               216           217           218           219           220 
      1   0.514165D+01 -0.979412D+02 -0.345661D+01  0.129432D+02  0.177051D+02
      2  -0.410601D+01  0.545461D+02  0.487604D+01 -0.699013D+01 -0.642896D+01
      3  -0.103565D+01  0.433951D+02 -0.141943D+01 -0.595308D+01 -0.112762D+02
      4  -0.594658D+01 -0.144332D+01  0.204044D+02 -0.249664D+01  0.988557D+00
      5  -0.323008D+01  0.114450D+02 -0.312367D+01  0.174733D+02 -0.616581D+01
      6   0.454612D+00  0.787174D+00 -0.230211D+01  0.716692D+01 -0.197890D+01
               221           222           223           224           225 
      1   0.183761D+02 -0.997346D+01  0.108299D+02 -0.588269D+01  0.257106D+02
      2  -0.951134D+01  0.335672D+01 -0.614106D+01  0.194863D+01 -0.188667D+02
      3  -0.886479D+01  0.661674D+01 -0.468880D+01  0.393406D+01 -0.684388D+01
      4   0.972358D+00 -0.135923D+00 -0.374695D+01 -0.161867D+01 -0.358433D+02
      5  -0.118118D+00 -0.593784D+02 -0.332257D+01 -0.392556D+02 -0.730989D+01
      6   0.115819D+01 -0.245195D+02 -0.560005D+01 -0.178908D+02  0.102705D-01
               226           227           228           229           230 
      1  -0.717843D+01 -0.153576D+02  0.391855D+00 -0.544865D+01 -0.563588D+02
      2   0.842077D+01  0.166664D+02 -0.176751D+00  0.546425D+01  0.742678D+02
      3  -0.124234D+01 -0.130873D+01 -0.215104D+00 -0.155979D-01 -0.179090D+02
      4   0.591831D+00  0.486617D+01  0.213845D+00  0.348688D+01 -0.226203D+02
      5   0.372888D+00  0.623765D+00  0.856288D+00  0.558314D-01  0.207806D+01
      6  -0.306398D+00 -0.708175D+00  0.205511D+01  0.195611D+00 -0.964415D+00
               231           232           233           234           235 
      1  -0.650419D+00  0.633806D+00  0.134174D+00 -0.184424D+01  0.368805D+02
      2   0.723845D+00 -0.383639D+00  0.169716D+00  0.299586D+01 -0.747338D+01
      3  -0.734259D-01 -0.250167D+00 -0.303890D+00 -0.115162D+01 -0.294072D+02
      4   0.175942D-01 -0.533938D-01 -0.574312D+00  0.453182D+00 -0.516740D+02
      5  -0.243049D+01  0.209873D+01 -0.137596D+00 -0.225247D+00 -0.320917D+01
      6   0.814030D+01 -0.803024D+00  0.444764D+01  0.962749D-01  0.248082D+01
               236           237           238           239           240 
      1  -0.184330D+02 -0.239501D+01 -0.166836D+02  0.911042D+01  0.683326D+00
      2  -0.184833D+01  0.673058D+00 -0.788144D+01  0.160276D+02  0.881084D+00
      3   0.202814D+02  0.172195D+01  0.245650D+02 -0.251380D+02 -0.156441D+01
      4   0.415332D+02  0.404383D+01  0.497432D+02 -0.543221D+02 -0.426957D+01
      5   0.193340D+01  0.716512D+01  0.200075D+01 -0.186422D+01 -0.681538D+01
      6  -0.185986D+01 -0.419901D+01 -0.218975D+01  0.267492D+01  0.573359D+01
               241           242           243           244           245 
      1  -0.323441D+01  0.124533D+01  0.376364D+00  0.626708D+01  0.993143D+01
      2   0.647225D+00  0.394897D+00  0.117745D+01 -0.682105D+00 -0.285213D+01
      3   0.258718D+01 -0.164022D+01 -0.155381D+01 -0.558498D+01 -0.707930D+01
      4   0.499138D+01 -0.410149D+01 -0.502639D+01  0.154790D+02  0.132976D+02
      5   0.129249D+01 -0.387100D+01 -0.122813D+01  0.287432D-01 -0.322649D+00
      6  -0.352963D+00  0.342616D+01  0.796875D+00 -0.332948D-01 -0.370725D+00
               246           247           248           249           250 
      1  -0.165336D+00  0.105349D+02 -0.641336D+01 -0.469056D+00 -0.206203D+00
      2   0.988237D-01  0.118300D+01  0.193890D+02 -0.686117D-01  0.114664D+00
      3   0.665119D-01 -0.117179D+02 -0.129756D+02  0.537667D+00  0.915388D-01
      4  -0.799330D+00  0.247249D+02  0.409934D+02 -0.565527D+00 -0.482546D+00
      5   0.131991D+01  0.298328D+00  0.145284D+01  0.431880D+01  0.772700D+00
      6   0.464099D+00 -0.250631D-01  0.139595D+00  0.463146D+01  0.206513D+01
               251           252           253           254           255 
      1  -0.104430D+01 -0.131579D+01  0.493067D+01  0.506460D+01  0.993962D+01
      2   0.586955D+00  0.235825D+01 -0.236780D+01 -0.394420D+01 -0.470916D+01
      3   0.457342D+00 -0.104246D+01 -0.256288D+01 -0.112040D+01 -0.523047D+01
      4  -0.431468D-01  0.605294D+00  0.858074D+00 -0.287997D+01  0.251407D+01
      5  -0.320418D+00  0.497977D-01  0.803073D+01  0.879492D+00 -0.649677D+01
      6   0.179617D+01  0.432089D-01  0.294413D+01 -0.293202D+00 -0.383993D+01
               256           257           258           259           260 
      1   0.463444D+01 -0.220805D+01 -0.111504D+01  0.242272D+02  0.431694D+01
      2   0.864556D+00  0.902201D+01  0.544054D+01 -0.109184D+02  0.226885D+01
      3  -0.549900D+01 -0.681396D+01 -0.432550D+01 -0.133088D+02 -0.658578D+01
      4   0.182422D+02  0.284454D+02  0.194151D+02  0.231784D+02  0.256803D+02
      5   0.110511D+02  0.204391D+02  0.250902D+02  0.202211D+02  0.268890D+02
      6   0.471789D+01  0.988354D+01  0.123747D+02  0.809762D+01  0.131180D+02
               261           262           263           264           265 
      1  -0.717773D+01  0.200200D+03  0.129527D+02 -0.126221D+02 -0.105232D+02
      2   0.191708D+01 -0.103579D+03 -0.387194D+01  0.739216D+01  0.888175D+01
      3   0.526066D+01 -0.966207D+02 -0.908079D+01  0.522996D+01  0.164144D+01
      4   0.247366D+02  0.361743D+02  0.184322D+02 -0.215743D+01  0.179897D+02
      5   0.509340D+02 -0.149112D+02 -0.824306D+00  0.174553D+02  0.876579D+00
      6   0.184569D+02 -0.216520D+01 -0.772273D+00  0.280336D+01 -0.706621D+00
               266           267           268           269           270 
      1   0.160456D+02  0.131946D+01 -0.125752D+02 -0.142222D+00  0.155846D+02
      2  -0.799640D+01 -0.100578D+01  0.767133D+01 -0.670101D-01 -0.879512D+01
      3  -0.804918D+01 -0.313678D+00  0.490388D+01  0.209232D+00 -0.678948D+01
      4  -0.587585D+00 -0.156570D+01 -0.219738D+01 -0.165899D+01  0.605562D+01
      5  -0.180726D+01  0.107682D+01  0.230950D+02  0.494059D+01 -0.421712D+01
      6  -0.163692D+00  0.193604D+01  0.346042D+01  0.279330D+01 -0.734540D+00
               271           272           273           274           275 
      1  -0.418252D+01  0.492359D+01 -0.138515D+02  0.295580D+01 -0.841845D+01
      2   0.151459D+01 -0.467378D+01  0.605105D+01  0.405736D+00  0.117415D+02
      3   0.266793D+01 -0.249803D+00  0.780048D+01 -0.336154D+01 -0.332304D+01
      4  -0.391671D+01 -0.733219D+01  0.148170D+01  0.148632D+02  0.291100D+02
      5  -0.666443D+01  0.302823D+01 -0.113760D+02 -0.788658D+01 -0.203774D+02
      6  -0.234788D+01  0.318969D+01 -0.647599D+01 -0.424979D+01 -0.127995D+02
               276           277           278           279 
      1   0.754202D+01 -0.209143D+02  0.285596D+01 -0.147772D+02
      2  -0.753944D+01  0.999556D+01 -0.406526D+01  0.337274D+01
      3  -0.258297D-02  0.109187D+02  0.120930D+01  0.114045D+02
      4  -0.205837D+02 -0.171565D+02 -0.232517D+02  0.249653D+02
      5   0.256725D+02  0.156220D+02  0.265486D+02 -0.444809D+02
      6   0.145275D+02  0.698503D+01  0.149877D+02 -0.197293D+02
 Leave Link  716 at Fri Aug 13 13:36:01 2021, MaxMem=  5368709120 cpu:               6.3 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293041D+03 -0.871673D+01 -0.129053D+02
      2  -0.871673D+01  0.169957D+03  0.205562D+01
      3  -0.129053D+02  0.205562D+01  0.118995D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.287378D+01 -0.248527D+02  0.323815D+01
      2   0.440271D+02  0.836781D+00  0.304336D+02
      3   0.721997D+02  0.655627D+02 -0.255387D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.263858D+03 -0.843180D+02  0.422792D+02
      2   0.835124D+02  0.657846D+02  0.611949D+01
      3   0.180345D+03  0.185334D+02 -0.483987D+02
      4  -0.756698D+02 -0.160378D+03 -0.135903D+01
      5  -0.339848D+02 -0.251920D+01  0.738700D+02
      6  -0.375027D+01 -0.450518D+02 -0.122337D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.314967D+02 -0.178216D+01 -0.214458D+01  0.469024D+02 -0.785213D+01
      2  -0.178216D+01 -0.383505D+00  0.261297D+00 -0.785213D+01  0.899926D+01
      3  -0.214458D+01  0.261297D+00 -0.132111D+00 -0.365976D+01  0.773590D+00
                 6             7             8             9            10 
      1  -0.365976D+01 -0.111284D+01 -0.971635D-01  0.106414D+01 -0.356425D+02
      2   0.773590D+00 -0.971635D-01  0.202301D+00  0.121211D+01  0.208625D+01
      3  -0.103849D+00  0.106414D+01  0.121211D+01 -0.120343D+00  0.231420D+01
                11            12            13            14            15 
      1   0.208625D+01  0.231420D+01 -0.470249D+02  0.736612D+01  0.371224D+01
      2  -0.425570D+01 -0.222842D+00  0.736612D+01 -0.724610D+01 -0.802787D+00
      3  -0.222842D+00  0.133300D+00  0.371224D+01 -0.802787D+00  0.186063D+00
                16            17            18            19            20 
      1   0.170191D+01 -0.679227D-02 -0.129079D+01 -0.404317D+02  0.497184D+01
      2  -0.679227D-02  0.247604D+00 -0.948165D+00  0.497184D+01 -0.434987D+01
      3  -0.129079D+01 -0.948165D+00  0.181011D-01  0.241100D+01 -0.298593D+00
                21            22            23            24            25 
      1   0.241100D+01  0.170257D+02 -0.212239D+01 -0.382397D+00  0.377837D+01
      2  -0.298593D+00 -0.212239D+01  0.312524D+01  0.280252D+00  0.194031D+00
      3  -0.456195D+00 -0.382397D+00  0.280252D+00  0.232927D+01  0.110052D+01
                26            27            28            29            30 
      1   0.194031D+00  0.110052D+01  0.429027D+02 -0.297665D+01 -0.170351D+01
      2   0.217437D+00  0.360041D+01 -0.297665D+01  0.356316D+01  0.311944D+00
      3   0.360041D+01 -0.703374D-01 -0.170351D+01  0.311944D+00  0.238727D+01
                31            32            33            34            35 
      1  -0.652117D+01  0.930215D+00  0.248391D+00 -0.119861D+01  0.985937D-01
      2   0.930215D+00 -0.770514D+01 -0.617141D+00  0.985937D-01 -0.875815D+00
      3   0.248391D+00 -0.617141D+00 -0.592716D+00  0.603538D+01 -0.768417D+00
                36            37            38            39            40 
      1   0.603538D+01  0.914475D+01  0.135214D+00 -0.208636D+00 -0.633757D+01
      2  -0.768417D+00  0.135214D+00  0.778755D+01  0.244402D+00  0.153568D+01
      3  -0.881833D+00 -0.208636D+00  0.244402D+00  0.186773D+01  0.425835D-01
                41            42            43            44            45 
      1   0.153568D+01  0.425835D-01 -0.906900D+00 -0.141196D+00  0.419525D+01
      2   0.380600D+01  0.151826D+00 -0.141196D+00 -0.571097D+00 -0.218781D+01
      3   0.151826D+00 -0.102494D+01  0.419525D+01 -0.218781D+01 -0.124485D+01
                46            47            48            49            50 
      1  -0.127105D+02  0.125625D+01  0.952236D+00 -0.771049D+00  0.898451D+00
      2   0.125625D+01 -0.491563D+01 -0.769649D+00  0.898451D+00  0.732534D-01
      3   0.952236D+00 -0.769649D+00 -0.155844D+01  0.196198D-01  0.125105D-01
                51            52            53            54            55 
      1   0.196198D-01  0.985025D+00 -0.541620D+00 -0.117181D+01  0.140668D+02
      2   0.125105D-01 -0.541620D+00  0.618004D+00 -0.365840D+01 -0.286191D+01
      3  -0.152472D+01 -0.117181D+01 -0.365840D+01 -0.136718D-01 -0.972425D+00
                56            57            58            59            60 
      1  -0.286191D+01 -0.972425D+00 -0.118052D+01 -0.912172D+00  0.215214D+00
      2   0.945832D+01  0.609513D+00 -0.912172D+00 -0.980126D+00 -0.601151D-01
      3   0.609513D+00  0.163825D+01  0.215214D+00 -0.601151D-01  0.160864D+01
                61            62            63            64            65 
      1  -0.117221D+01  0.554019D+00  0.966183D+00  0.122206D+01  0.224937D+01
      2   0.554019D+00 -0.103826D+01  0.363475D+01  0.224937D+01  0.154359D+01
      3   0.966183D+00  0.363475D+01 -0.156097D+00 -0.837142D-01 -0.160318D+00
                66            67            68            69            70 
      1  -0.837142D-01  0.244785D+01  0.297595D+01 -0.112082D+00 -0.189046D+00
      2  -0.160318D+00  0.297595D+01  0.766957D+01 -0.215852D+00 -0.174009D+00
      3   0.176525D+00 -0.112082D+00 -0.215852D+00  0.886944D+00 -0.239447D-01
                71            72            73            74            75 
      1  -0.174009D+00 -0.239447D-01  0.645860D+01 -0.306810D+01 -0.634438D+00
      2  -0.409023D-01  0.246577D+00 -0.306810D+01  0.271492D+01  0.236397D+00
      3   0.246577D+00 -0.472153D-01 -0.634438D+00  0.236397D+00  0.643032D+00
                76            77            78            79            80 
      1  -0.387112D+01  0.406495D+01  0.410281D+00 -0.747035D+00  0.225179D+00
      2   0.406495D+01 -0.504162D+01 -0.448428D+00  0.225179D+00 -0.215054D+00
      3   0.410281D+00 -0.448428D+00 -0.741317D+00 -0.177666D+00 -0.290837D+00
                81            82            83            84            85 
      1  -0.177666D+00 -0.112785D+01 -0.157807D+01  0.398417D-01 -0.756462D+00
      2  -0.290837D+00 -0.157807D+01 -0.208736D+01  0.446899D-01 -0.143463D+01
      3  -0.343129D-01  0.398417D-01  0.446899D-01 -0.204631D+00 -0.707729D-01
                86            87            88            89            90 
      1  -0.143463D+01 -0.707729D-01  0.160325D+00  0.954078D-01  0.570429D-01
      2  -0.101330D+02 -0.150888D+00  0.954078D-01 -0.301285D-01 -0.357530D+00
      3  -0.150888D+00 -0.955991D+00  0.570429D-01 -0.357530D+00 -0.243221D-01
                91            92            93            94            95 
      1  -0.137366D+02  0.199773D+01 -0.729719D-02  0.213301D+01 -0.739698D+00
      2   0.199773D+01 -0.307309D+00 -0.377890D-01 -0.739698D+00 -0.510427D+01
      3  -0.729719D-02 -0.377890D-01 -0.344528D+01 -0.904755D+00  0.544759D-01
                96            97            98            99           100 
      1  -0.904755D+00  0.220939D+00 -0.501160D+00 -0.758040D+01 -0.676921D+01
      2   0.544759D-01 -0.501160D+00 -0.360005D+00  0.138560D+01 -0.230137D+01
      3   0.140720D+01 -0.758040D+01  0.138560D+01  0.440808D-01  0.123895D+01
               101           102           103           104           105 
      1  -0.230137D+01  0.123895D+01 -0.573006D+01  0.592825D+00  0.915196D+00
      2   0.224183D+00 -0.263399D+00  0.592825D+00  0.449865D+01  0.123794D+01
      3  -0.263399D+00  0.344905D+01  0.915196D+00  0.123794D+01 -0.289001D+01
               106           107           108           109           110 
      1  -0.436944D+01  0.519584D+00  0.533380D+01 -0.622627D+01  0.208134D+01
      2   0.519584D+00  0.682327D+00 -0.230913D+01  0.208134D+01 -0.668056D+00
      3   0.533380D+01 -0.230913D+01 -0.197753D+00  0.366272D+00  0.184397D+00
               111           112           113           114           115 
      1   0.366272D+00  0.151104D+01 -0.437026D+00  0.504709D+00  0.607739D+01
      2   0.184397D+00 -0.437026D+00  0.969096D+00  0.346806D+00 -0.211197D+00
      3   0.967196D+00  0.504709D+00  0.346806D+00 -0.639494D+00  0.397933D+01
               116           117           118           119           120 
      1  -0.211197D+00  0.397933D+01 -0.983188D+00  0.144768D+01  0.101369D+00
      2   0.101529D+01 -0.492449D+00  0.144768D+01  0.823142D+00 -0.945371D-01
      3  -0.492449D+00  0.944971D+00  0.101369D+00 -0.945371D-01  0.839120D+00
               121           122           123           124           125 
      1   0.298211D+01  0.195182D+01 -0.209705D-02  0.530840D+00 -0.275806D-01
      2   0.195182D+01  0.668578D+01 -0.242206D+00 -0.275806D-01  0.295500D-04
      3  -0.209705D-02 -0.242206D+00  0.136772D+01  0.124419D+01  0.897759D+00
               126           127           128           129           130 
      1   0.124419D+01  0.141093D+02  0.131920D+01 -0.314022D+01  0.282392D+01
      2   0.897759D+00  0.131920D+01  0.111829D+01 -0.162905D+00  0.155016D+01
      3  -0.226843D+00 -0.314022D+01 -0.162905D+00  0.197620D+01 -0.806322D+00
               131           132           133           134           135 
      1   0.155016D+01 -0.806322D+00 -0.109119D+01 -0.217315D+00  0.120719D+01
      2   0.273062D+00 -0.493554D+00 -0.217315D+00 -0.139094D-01  0.487800D+00
      3  -0.493554D+00  0.922089D+00  0.120719D+01  0.487800D+00 -0.561615D+00
               136           137           138           139           140 
      1  -0.587752D+00  0.608593D+00 -0.989410D+00  0.127032D+01 -0.102810D+00
      2   0.608593D+00 -0.615346D+00  0.468294D+00 -0.102810D+00  0.799145D+00
      3  -0.989410D+00  0.468294D+00 -0.291178D+01 -0.206199D+00 -0.162685D+01
               141           142           143           144           145 
      1  -0.206199D+00 -0.613094D+00 -0.115220D-01 -0.541403D+00  0.565644D+00
      2  -0.162685D+01 -0.115220D-01 -0.127965D+01  0.164232D+01 -0.838503D+00
      3   0.274403D+01 -0.541403D+00  0.164232D+01 -0.697666D+01 -0.111131D+00
               146           147           148           149           150 
      1  -0.838503D+00 -0.111131D+00 -0.231549D+01  0.785397D+00  0.925811D+00
      2   0.547585D-01  0.526537D-01  0.785397D+00 -0.614472D+01 -0.166383D+01
      3   0.526537D-01 -0.540763D+00  0.925811D+00 -0.166383D+01 -0.194373D+01
               151           152           153           154           155 
      1   0.325609D+00  0.260377D+00 -0.274559D+00  0.186495D+02 -0.332628D+01
      2   0.260377D+00 -0.727761D+00 -0.859859D+00 -0.332628D+01  0.212906D+01
      3  -0.274559D+00 -0.859859D+00 -0.676825D+00  0.755956D+00 -0.194280D+00
               156           157           158           159           160 
      1   0.755956D+00 -0.566663D+01  0.448649D+01 -0.488999D+00  0.141801D+01
      2  -0.194280D+00  0.448649D+01 -0.303211D+01  0.189130D+00 -0.358799D+00
      3   0.289834D+01 -0.488999D+00  0.189130D+00 -0.103825D+01  0.265152D+01
               161           162           163           164           165 
      1  -0.358799D+00  0.265152D+01  0.994749D+01 -0.114075D+01  0.348696D+01
      2  -0.316000D+00 -0.901906D+00 -0.114075D+01  0.114001D+00  0.187119D+00
      3  -0.901906D+00 -0.163036D+00  0.348696D+01  0.187119D+00  0.100662D+01
               166           167           168           169           170 
      1  -0.317513D+01  0.144965D+00 -0.563841D+00  0.184317D+01  0.345074D+00
      2   0.144965D+00  0.255459D+00  0.143818D+01  0.345074D+00  0.472557D+00
      3  -0.563841D+00  0.143818D+01 -0.472932D+00  0.742259D+00  0.232146D+00
               171           172           173           174           175 
      1   0.742259D+00 -0.922392D+01  0.938284D+00 -0.174580D+01  0.259494D+01
      2   0.232146D+00  0.938284D+00 -0.392652D+00 -0.168782D+00 -0.104550D+00
      3   0.715068D+01 -0.174580D+01 -0.168782D+00 -0.248487D+01  0.439561D+00
               176           177           178           179           180 
      1  -0.104550D+00  0.439561D+00 -0.487290D+01  0.893801D-01 -0.195205D+01
      2   0.523093D+00  0.654241D+00  0.893801D-01  0.839353D+00  0.237301D+00
      3   0.654241D+00  0.902052D+00 -0.195205D+01  0.237301D+00  0.352708D+00
               181           182           183           184           185 
      1  -0.120032D+02  0.464391D+00  0.405628D+00  0.522659D+01  0.103728D+00
      2   0.464391D+00 -0.992193D+01  0.128627D+00  0.103728D+00 -0.675712D+01
      3   0.405628D+00  0.128627D+00 -0.197090D+01 -0.214867D+00 -0.116294D+00
               186           187           188           189           190 
      1  -0.214867D+00  0.277196D+00  0.294700D+00 -0.461774D+01 -0.390456D+02
      2  -0.116294D+00  0.294700D+00  0.576915D+00  0.267893D+01  0.897118D+00
      3   0.114069D+01 -0.461774D+01  0.267893D+01  0.999698D+00  0.207692D+01
               191           192           193           194           195 
      1   0.897118D+00  0.207692D+01  0.145525D+02 -0.795369D+00 -0.848263D+00
      2  -0.656258D+01 -0.118719D+00 -0.795369D+00  0.137918D+02  0.196331D+00
      3  -0.118719D+00 -0.338110D+01 -0.848263D+00  0.196331D+00  0.330214D+00
               196           197           198           199           200 
      1   0.246759D+01  0.136220D+00 -0.665173D+01  0.404645D+02 -0.372481D+01
      2   0.136220D+00  0.810551D+00  0.650584D+00 -0.372481D+01  0.838447D+01
      3  -0.665173D+01  0.650584D+00  0.131496D+01 -0.285776D+01  0.615571D-01
               201           202           203           204           205 
      1  -0.285776D+01 -0.173002D+02 -0.127902D+00  0.108515D+01 -0.367508D+01
      2   0.615571D-01 -0.127902D+00 -0.498179D+01  0.632753D-01  0.460407D-02
      3   0.335012D+00  0.108515D+01  0.632753D-01 -0.251312D+01  0.571161D+00
               206           207           208           209           210 
      1   0.460407D-02  0.571161D+00  0.774211D+01  0.131268D+01 -0.531228D+00
      2  -0.649088D+00 -0.351397D+01  0.131268D+01  0.170464D+01  0.299832D-01
      3  -0.351397D+01 -0.293884D+00 -0.531228D+00  0.299832D-01  0.340961D+00
               211           212           213           214           215 
      1   0.266971D+01 -0.138098D+01 -0.324959D+00 -0.633863D+00 -0.103397D+00
      2  -0.138098D+01  0.200818D+01  0.176785D+00 -0.103397D+00 -0.119105D+00
      3  -0.324959D+00  0.176785D+00 -0.883123D+00 -0.490754D+00  0.429545D+00
               216           217           218           219           220 
      1  -0.490754D+00  0.407272D+01 -0.114314D+01 -0.518190D+00 -0.353399D+01
      2   0.429545D+00 -0.114314D+01 -0.254774D+01  0.432705D+00 -0.699558D-01
      3   0.846422D-01 -0.518190D+00  0.432705D+00 -0.211745D+01  0.723546D+00
               221           222           223           224           225 
      1  -0.699558D-01  0.723546D+00 -0.322934D+00  0.458404D+00  0.453517D+00
      2  -0.763471D+00 -0.221862D+00  0.458404D+00  0.249578D-01  0.390853D+01
      3  -0.221862D+00  0.535460D+01  0.453517D+00  0.390853D+01  0.422566D+00
               226           227           228           229           230 
      1   0.855322D+00  0.132901D+01 -0.422112D-01  0.450513D+00  0.775869D+00
      2   0.132901D+01  0.233662D+01 -0.431561D-01  0.775869D+00  0.107020D+02
      3  -0.422112D-01 -0.431561D-01  0.189134D+00  0.578405D-01  0.946117D-01
               231           232           233           234           235 
      1   0.578405D-01 -0.798875D-01 -0.570724D-01 -0.191593D+00 -0.715293D+01
      2   0.946117D-01 -0.570724D-01  0.367100D-01  0.402765D+00  0.449150D+01
      3   0.959526D+00 -0.191593D+00  0.402765D+00  0.644200D-01  0.609095D+00
               236           237           238           239           240 
      1   0.449150D+01  0.609095D+00  0.505871D+01 -0.512932D+01 -0.433121D+00
      2  -0.394510D+01 -0.377572D+00 -0.512932D+01  0.592421D+01  0.486718D+00
      3  -0.377572D+00 -0.743494D+00 -0.433121D+00  0.486718D+00  0.850369D+00
               241           242           243           244           245 
      1   0.768842D+00 -0.463432D+00  0.801521D-01 -0.127047D+01 -0.215649D+01
      2  -0.463432D+00  0.436541D+00  0.430641D+00 -0.215649D+01 -0.116762D+01
      3   0.801521D-01  0.430641D+00  0.778777D-01  0.301538D-01  0.140846D+00
               246           247           248           249           250 
      1   0.301538D-01 -0.333579D+01 -0.315997D+01  0.112600D+00 -0.372153D-02
      2   0.140846D+00 -0.315997D+01 -0.675265D+01  0.818045D-01  0.102269D+00
      3  -0.120778D+00  0.112600D+00  0.818045D-01 -0.696944D+00 -0.111389D+00
               251           252           253           254           255 
      1   0.102269D+00 -0.111389D+00  0.752710D-02  0.164885D+00 -0.800660D+00
      2  -0.573193D-01 -0.227565D-02  0.164885D+00  0.414407D+00 -0.166109D-01
      3  -0.227565D-02 -0.198040D-01 -0.800660D+00 -0.166109D-01  0.895489D+00
               256           257           258           259           260 
      1  -0.645346D+00 -0.144479D+01 -0.955001D+00 -0.318567D+01 -0.185600D+01
      2  -0.144479D+01 -0.270588D+01 -0.189492D+01 -0.185600D+01 -0.238204D+01
      3  -0.955001D+00 -0.189492D+01 -0.229878D+01 -0.167116D+01 -0.254299D+01
               261           262           263           264           265 
      1  -0.167116D+01 -0.156753D+02 -0.131153D+01  0.104747D+01  0.939719D+00
      2  -0.254299D+01 -0.131153D+01 -0.113163D+01  0.619223D-01 -0.118450D+01
      3  -0.486214D+01  0.104747D+01  0.619223D-01 -0.116286D+01 -0.984012D-01
               266           267           268           269           270 
      1  -0.118450D+01 -0.984012D-01  0.105760D+01  0.631361D-01 -0.160527D+01
      2   0.215755D+00  0.125626D+00  0.631361D-01  0.126863D+00 -0.466594D+00
      3   0.125626D+00 -0.121513D+00 -0.160527D+01 -0.466594D+00  0.320387D+00
               271           272           273           274           275 
      1   0.881234D+00  0.458452D+00  0.655173D+00 -0.423667D+00 -0.116443D+01
      2   0.458452D+00  0.880919D+00 -0.527193D+00 -0.116443D+01 -0.297161D+01
      3   0.655173D+00 -0.527193D+00  0.148744D+01  0.659094D+00  0.219062D+01
               276           277           278           279 
      1   0.659094D+00  0.256159D+01  0.132727D+01 -0.132935D+01
      2   0.219062D+01  0.132727D+01  0.236870D+01 -0.277743D+01
      3  -0.254796D+01 -0.132935D+01 -0.277743D+01  0.477646D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.220632D+01  0.281586D+01 -0.879570D-01  0.515509D+01 -0.300701D+01
      2   0.638772D+01 -0.361414D+00 -0.810149D+00  0.103193D+02 -0.140179D+01
      3   0.323420D+02  0.251172D+02 -0.163742D+01  0.507626D+02 -0.144062D+02
                 6             7             8             9            10 
      1  -0.510369D+00 -0.344548D+01  0.716657D+01  0.388348D+00 -0.863064D+00
      2   0.968730D+00 -0.182882D+02  0.152106D+01  0.150844D+01 -0.109142D+02
      3  -0.371972D+01 -0.525785D+00 -0.313300D+01  0.213946D+01 -0.161903D+02
                11            12            13            14            15 
      1   0.400462D+01  0.385056D+00  0.226504D+01 -0.579939D+00  0.543066D+00
      2   0.242615D+00 -0.442860D+01 -0.110212D+02  0.176594D+01  0.385595D+00
      3   0.305330D+02  0.152676D+01  0.363357D+02 -0.222877D+02 -0.347629D+01
                16            17            18            19            20 
      1  -0.288972D+01  0.771444D+01  0.217663D+00 -0.340706D+01 -0.661874D+00
      2  -0.179406D+02  0.803629D+00  0.160325D+01 -0.119160D+02  0.203663D+01
      3   0.259649D+01 -0.364066D+01 -0.109590D+01 -0.416458D+02 -0.189651D+02
                21            22            23            24            25 
      1   0.882496D+00 -0.445107D+00 -0.120988D+01 -0.291041D+01 -0.525301D+01
      2   0.115601D+00  0.517765D+01 -0.101003D+01  0.175905D+01 -0.178115D+02
      3   0.228785D+01  0.149473D+02 -0.164315D+01 -0.324342D+00  0.258246D+01
                26            27            28            29            30 
      1   0.424886D+00 -0.146306D+01 -0.570359D-01  0.925743D+00 -0.226656D+00
      2   0.694084D+01  0.139583D+01  0.128413D+02 -0.102712D+01  0.122929D+01
      3   0.199583D+01 -0.325125D+01  0.163371D+02  0.377257D+01 -0.827647D+00
                31            32            33            34            35 
      1   0.474339D+01  0.244848D+01  0.240562D+01 -0.216873D+01  0.125132D+02
      2  -0.765794D+00  0.203961D+00 -0.137780D+01 -0.123426D+02  0.141525D+01
      3   0.196503D+02 -0.474259D+00 -0.380501D+00  0.843741D+00 -0.148024D+01
                36            37            38            39            40 
      1   0.975316D+00 -0.483905D+00 -0.189837D+01  0.376558D+01 -0.120708D+01
      2   0.158097D+01  0.108113D+01 -0.244669D+00  0.133974D+01 -0.281116D+01
      3   0.367224D+01 -0.205472D+02 -0.165846D+01  0.568831D+00 -0.454971D+01
                41            42            43            44            45 
      1  -0.188866D+01 -0.790603D+00  0.138579D+02  0.627978D+01 -0.915201D+00
      2   0.733100D+00 -0.129795D+01 -0.108408D+02 -0.574797D+01  0.141774D+01
      3  -0.492225D+01 -0.634461D+00 -0.666066D+00 -0.118560D+01 -0.454119D+01
                46            47            48            49            50 
      1   0.152269D+01 -0.833794D+00 -0.382344D+01 -0.102733D+01  0.143704D+01
      2  -0.398836D+01  0.444852D+00  0.119865D+01  0.837241D-01  0.413999D-01
      3   0.376969D+02 -0.280252D+02 -0.249635D+01 -0.824013D+01  0.184798D+02
                51            52            53            54            55 
      1  -0.266842D+01 -0.819041D+01 -0.167005D+01  0.252036D+01  0.171691D+01
      2  -0.683067D+00 -0.174600D+02  0.468772D-01  0.720848D+00  0.338191D-01
      3   0.135517D+01 -0.299641D+01  0.273088D+01  0.476529D+01  0.272352D+02
                56            57            58            59            60 
      1  -0.317136D+01 -0.499717D+01  0.384627D-01  0.175578D+01 -0.292143D+01
      2  -0.926762D+00 -0.403777D+01  0.115737D+00 -0.311775D+00 -0.395886D+01
      3  -0.137533D+02 -0.103941D+01 -0.308573D+00  0.167347D+02  0.274869D+00
                61            62            63            64            65 
      1  -0.779819D+01 -0.302345D+01  0.118622D+01 -0.454903D+00  0.864754D-01
      2  -0.211161D+02 -0.555929D+01  0.169760D+01  0.121767D+00  0.417195D+00
      3  -0.107606D+01  0.145008D+01  0.113919D+02  0.557447D+00  0.916665D+00
                66            67            68            69            70 
      1  -0.117078D+01 -0.552612D+00 -0.165932D+01 -0.400644D+01 -0.115757D+00
      2   0.349541D+00  0.577389D+00  0.575228D+00  0.136955D+01 -0.153629D+01
      3   0.665607D-01  0.492080D+01 -0.477941D+01 -0.313115D-01  0.134324D+00
                71            72            73            74            75 
      1   0.186646D+01  0.210647D+00 -0.577846D+00 -0.624013D+00  0.276620D+01
      2  -0.917316D+00 -0.399223D-01  0.211168D+01 -0.102110D+01  0.173675D+01
      3  -0.372270D+00  0.605905D+00 -0.957403D+01  0.206230D+00  0.918773D+00
                76            77            78            79            80 
      1  -0.100517D+01  0.129314D+01 -0.273294D+01 -0.161253D+01  0.131078D+01
      2  -0.122440D+01  0.103663D+01 -0.230679D+01 -0.256075D+01  0.838930D-02
      3   0.190055D+01  0.231211D+01  0.115025D+00  0.197201D+01  0.151019D+00
                81            82            83            84            85 
      1  -0.193680D-01  0.812432D+00  0.897862D+00 -0.128823D+01  0.364877D+00
      2  -0.230603D-01 -0.303458D+00 -0.394614D+00  0.696888D+00 -0.210100D+00
      3   0.356899D+00  0.527337D+01  0.250148D+01 -0.230418D+00  0.530579D+01
                86            87            88            89            90 
      1   0.276148D+01 -0.444030D+01  0.125615D+01  0.170168D+01 -0.487619D-01
      2  -0.475633D+00  0.103959D+01 -0.377138D+00  0.776140D+00  0.378356D-01
      3   0.371727D+01  0.817387D-01 -0.662352D+00 -0.267650D+00 -0.850422D+00
                91            92            93            94            95 
      1  -0.250941D+01  0.803103D+00  0.805377D+00  0.231155D+01  0.217608D+01
      2  -0.981737D+01  0.123713D+01 -0.779302D+01 -0.109160D+00 -0.885652D+00
      3  -0.109096D+02 -0.321045D+01 -0.201945D+00  0.112899D+02  0.226566D+02
                96            97            98            99           100 
      1  -0.271729D+01  0.313059D+01  0.379072D+01 -0.111726D+01  0.425250D+01
      2   0.392469D+01 -0.349127D+02  0.476617D+01 -0.331349D+01 -0.123109D+02
      3  -0.102432D+01  0.516244D+00  0.100842D+01 -0.870996D+01  0.140417D+02
               101           102           103           104           105 
      1  -0.210619D+01  0.618114D+00  0.517035D+00 -0.107644D+02 -0.669865D+01
      2  -0.453225D+01  0.209726D+02 -0.298409D+01  0.591075D+01 -0.111293D+02
      3  -0.535765D+01 -0.587456D+00 -0.844826D-01 -0.227691D+02 -0.598146D+01
               106           107           108           109           110 
      1  -0.120291D+01 -0.792798D+00  0.707306D+01  0.494225D+01 -0.193474D+01
      2   0.148904D+02 -0.926557D+01  0.828501D+01  0.154929D+02 -0.235960D+01
      3  -0.345829D+01 -0.482700D+01  0.110231D+02  0.126994D+01  0.127390D+02
               111           112           113           114           115 
      1  -0.792758D+01 -0.108671D+02  0.299375D+01 -0.135945D+02 -0.670381D+01
      2   0.267978D+01 -0.307878D+00  0.207175D+01  0.649983D+01  0.993606D+01
      3   0.266524D+01  0.166919D+02 -0.142862D+02  0.101039D+01  0.469759D+01
               116           117           118           119           120 
      1  -0.414483D+01 -0.226934D+01 -0.743049D+00 -0.683238D+00 -0.280832D+00
      2   0.169990D+01  0.307907D+01 -0.523050D-01  0.417873D+00  0.339812D+01
      3  -0.336552D+00  0.424156D+01 -0.742436D+01 -0.261882D+01  0.227444D+00
               121           122           123           124           125 
      1  -0.882659D+00 -0.377259D+01 -0.253942D+01 -0.254485D+00  0.193429D+00
      2   0.110917D+01  0.719148D+00  0.434056D+01  0.250371D+01  0.269567D+01
      3  -0.167553D+01 -0.241794D+02  0.647770D+00  0.766622D+00 -0.148194D+00
               126           127           128           129           130 
      1  -0.514483D-02 -0.220533D+01 -0.306939D+01 -0.115889D+00 -0.306847D+01
      2  -0.153201D+00  0.125127D+02  0.188728D+01  0.569274D+01  0.162830D+01
      3  -0.229410D+01 -0.541859D+01 -0.746996D+01  0.622811D+00 -0.558429D+01
               131           132           133           134           135 
      1  -0.117065D+00 -0.757656D-01  0.657826D+00  0.819938D+00 -0.109088D+01
      2   0.580059D+00  0.295054D+01  0.218290D+01  0.138859D+01  0.768374D-01
      3  -0.562025D+00  0.190083D+01  0.686934D+00  0.146327D+01 -0.200064D+01
               136           137           138           139           140 
      1  -0.181424D+01  0.261626D+01 -0.892573D+00  0.106051D+01 -0.214862D+01
      2  -0.745422D+01  0.333913D+01 -0.127241D+02  0.235950D+01 -0.674517D+01
      3  -0.307940D+01  0.235303D+01 -0.180766D+01  0.211930D+01 -0.268588D+01
               141           142           143           144           145 
      1   0.222003D+01 -0.919616D-01  0.465665D+01 -0.367970D+01  0.282536D+01
      2   0.105578D+02 -0.634731D+01  0.704872D+01 -0.282891D+02 -0.640342D-01
      3   0.609619D+01  0.775969D-01  0.442826D+01 -0.652467D+01  0.530932D+01
               146           147           148           149           150 
      1   0.309783D+00 -0.493074D+00 -0.213680D+00  0.141947D+02  0.425471D+00
      2  -0.130675D+01 -0.175719D+01 -0.942644D+00 -0.552689D+01 -0.605185D+01
      3   0.439130D+00 -0.675321D+00  0.143353D+01  0.268397D+02  0.604434D+01
               151           152           153           154           155 
      1  -0.806097D+00  0.225458D+01  0.158621D+01 -0.431925D+01  0.264710D+01
      2  -0.140664D+01 -0.272805D+01 -0.293367D+01 -0.968909D+01  0.176938D+01
      3  -0.215653D+01  0.257022D+01  0.372565D+01  0.119486D+02 -0.218825D+02
               156           157           158           159           160 
      1   0.424748D+01  0.767098D+01 -0.383021D+01 -0.823074D+00  0.193709D+01
      2   0.214560D+02 -0.224198D+01 -0.212894D+01 -0.922797D+01  0.782712D+01
      3  -0.254671D+00 -0.173309D+02  0.178947D+02 -0.135598D+01  0.255562D+00
               161           162           163           164           165 
      1   0.301385D+01 -0.711028D+00 -0.564813D+01  0.195394D+01  0.990476D+00
      2  -0.387674D+01 -0.219835D+01 -0.877031D+01  0.379608D+01  0.131776D+01
      3  -0.112767D+01  0.357538D+01  0.844780D+01 -0.436048D+01  0.279517D+00
               166           167           168           169           170 
      1   0.503704D+01 -0.228096D+00  0.419663D+01 -0.183892D+01  0.838579D+01
      2   0.537529D+01  0.511062D+01 -0.287112D+01 -0.697157D+01  0.814149D+00
      3  -0.149003D+01 -0.318633D-01 -0.695951D+01 -0.321178D+00 -0.214153D+01
               171           172           173           174           175 
      1  -0.702948D+00  0.627057D+01 -0.226839D+01  0.128624D+01 -0.550838D+01
      2   0.241869D+02  0.194802D+02 -0.327062D+01 -0.520212D+01 -0.524148D+01
      3  -0.109408D+01 -0.750559D+01  0.243336D+01 -0.898252D+00  0.628152D+01
               176           177           178           179           180 
      1   0.645217D+00 -0.232852D+01  0.188011D+01 -0.551327D+00  0.911830D+00
      2   0.296208D+01  0.241366D+01 -0.604918D+00  0.377919D+00  0.276474D+01
      3  -0.109497D+01 -0.721542D+00 -0.341330D+01  0.296744D+00 -0.156530D+01
               181           182           183           184           185 
      1  -0.565079D-01  0.158853D+01  0.517672D+01 -0.784562D+00 -0.856941D+00
      2  -0.144407D+01 -0.304644D+00  0.661288D+01  0.100493D+01  0.112233D+01
      3  -0.211605D+02 -0.105122D+02  0.104682D+01 -0.253526D+01 -0.241141D+02
               186           187           188           189           190 
      1  -0.145279D+01  0.151373D+02  0.716148D+01 -0.217322D+01 -0.170027D+01
      2  -0.215742D+01  0.907524D+00 -0.995566D+01 -0.185526D+01 -0.821829D+01
      3  -0.393155D+00  0.563765D-01 -0.253915D+00 -0.186270D+01 -0.241562D+02
               191           192           193           194           195 
      1   0.379390D+01  0.875976D+00  0.398805D+01 -0.125198D+01  0.382382D+01
      2  -0.315164D+00  0.148956D+01  0.248127D+01 -0.119082D+01 -0.778414D+00
      3   0.163125D+02  0.227659D+01  0.445199D+02  0.214831D+02 -0.331374D+01
               196           197           198           199           200 
      1  -0.234014D+01  0.119896D+02  0.499222D+00  0.323413D+00 -0.293425D+01
      2   0.237592D+01 -0.192184D+01 -0.180772D+01  0.824291D+01  0.211690D+00
      3   0.352034D+01 -0.218965D+01  0.361240D-01  0.646062D+01 -0.196294D+02
               201           202           203           204           205 
      1  -0.265291D-01 -0.930702D+00  0.991339D+00 -0.298091D+01 -0.104826D+01
      2   0.242695D+01 -0.285639D+01 -0.303011D+00  0.519689D+01 -0.218468D+02
      3  -0.145768D+01 -0.121905D+02 -0.640620D+00  0.162989D+01 -0.212380D+01
               206           207           208           209           210 
      1   0.318404D+01  0.396605D+00  0.134479D+01 -0.337515D+01 -0.103886D+01
      2   0.125107D+02  0.194870D+01  0.193678D+01  0.457803D+00  0.997895D+01
      3   0.191844D+01 -0.652276D+01  0.199310D+02 -0.347262D+02 -0.202824D+01
               211           212           213           214           215 
      1  -0.909739D-01  0.214443D+00 -0.678599D+01  0.339050D+01  0.425949D+00
      2   0.121723D+01 -0.479058D+00  0.711620D+01 -0.367576D+01 -0.439068D+01
      3   0.330518D+01  0.608248D+01  0.450744D+00 -0.187844D+01  0.294544D+01
               216           217           218           219           220 
      1  -0.310299D+00 -0.179526D+01  0.541314D+00 -0.330442D+01  0.232163D+00
      2  -0.612766D+00  0.242241D+01 -0.219321D+01  0.121049D+02 -0.329915D+01
      3   0.158138D+01 -0.286605D+02 -0.122062D+02  0.525159D+01 -0.447628D+01
               221           222           223           224           225 
      1   0.954338D+00  0.896121D+01  0.831323D+01  0.107684D+02  0.167819D+01
      2   0.910433D+00 -0.311101D+02 -0.240589D+01 -0.218091D+02 -0.252625D+01
      3   0.144833D+02 -0.130186D+01  0.437263D+01 -0.791529D+00  0.286091D+02
               226           227           228           229           230 
      1   0.281132D+00  0.247684D+00 -0.140254D+01 -0.134374D+00 -0.253553D+00
      2   0.356232D-01  0.936059D-01  0.186720D+00 -0.135949D+00 -0.361902D+00
      3   0.738078D+01  0.671508D+01 -0.350071D+00  0.543538D+01  0.226617D+02
               231           232           233           234           235 
      1  -0.489244D+01  0.957636D+00  0.158948D+01 -0.171918D+00 -0.875994D+00
      2  -0.774167D+00  0.273668D+00 -0.221863D+00 -0.112322D+00 -0.140695D+01
      3   0.347835D+00 -0.556727D+00 -0.189511D+00 -0.933741D-01 -0.478562D+00
               236           237           238           239           240 
      1   0.234805D+00  0.260244D+01  0.287199D+00 -0.140383D+00 -0.310962D+01
      2   0.894486D+00  0.382173D+01  0.953958D+00 -0.122783D+01 -0.412392D+01
      3  -0.652102D+01 -0.783996D-01 -0.679652D+01  0.120708D+02  0.887989D+00
               241           242           243           244           245 
      1  -0.213410D+01  0.682021D+00 -0.251914D-01  0.246067D+00  0.313042D+00
      2  -0.233816D+01 -0.159977D+01 -0.252600D+00 -0.291353D+00 -0.535933D+00
      3   0.202432D+00  0.616593D+00  0.171137D+01 -0.206103D+01 -0.138743D+01
               246           247           248           249           250 
      1  -0.628529D+00  0.466736D+00  0.194527D+00 -0.303680D+01 -0.427656D+00
      2   0.455165D+00 -0.503428D+00 -0.302444D+00  0.214609D+01 -0.125733D+01
      3   0.165677D+00 -0.137733D+00 -0.162918D+02 -0.160361D+00  0.221626D+00
               251           252           253           254           255 
      1   0.151443D+01  0.411035D-01 -0.919428D+00  0.113413D+00  0.195871D+01
      2  -0.115471D+01  0.786728D-01  0.597169D+01  0.457042D+00 -0.429211D+01
      3  -0.420586D+00  0.325817D+00 -0.127521D+01  0.439215D+01  0.176388D+01
               256           257           258           259           260 
      1  -0.899815D+00 -0.275134D+01 -0.502432D+01 -0.287943D+01 -0.252940D+01
      2   0.461880D+01  0.100269D+02  0.128162D+02  0.482583D+01  0.138070D+02
      3  -0.444547D+01 -0.176893D+02 -0.114772D+02 -0.546936D+01 -0.146692D+02
               261           262           263           264           265 
      1  -0.932640D+01  0.107981D+01 -0.466592D+00 -0.153146D+01 -0.310291D+00
      2   0.261760D+02 -0.237585D+01 -0.484424D-01  0.859326D+01  0.378640D+00
      3  -0.170872D+02  0.116248D+02 -0.835264D+01 -0.105860D+01 -0.585019D+01
               266           267           268           269           270 
      1   0.226359D+00 -0.901809D+00 -0.210293D+01 -0.264588D+00  0.233206D+00
      2  -0.440628D+00  0.693786D+00  0.730541D+01  0.242593D+01 -0.153914D+01
      3   0.270593D+01  0.778920D+00 -0.111508D+01  0.998811D+00 -0.169543D+01
               271           272           273           274           275 
      1   0.606428D+00  0.133919D+00  0.287567D+01  0.245030D+00  0.114451D+01
      2  -0.611082D+01  0.216831D+01 -0.730964D+01 -0.274614D+01 -0.109787D+02
      3  -0.140387D+01  0.721729D+01 -0.506413D+01 -0.267220D+01 -0.196257D+02
               276           277           278           279 
      1  -0.413197D+01 -0.157988D+01 -0.144336D+01  0.713704D+01
      2   0.136700D+02  0.248071D+01  0.144635D+02 -0.244479D+02
      3   0.131804D+02  0.291640D+01  0.146007D+02 -0.185723D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715842D+02  0.292766D+02  0.473227D+01 -0.877644D+02 -0.364580D+01
      2   0.357868D+02 -0.202359D+02 -0.296351D+01  0.346678D+02  0.151117D+02
      3   0.357975D+02 -0.904071D+01 -0.176876D+01  0.530966D+02 -0.114659D+02
      4  -0.129248D+01  0.214854D+02  0.736365D+00  0.113820D+02 -0.257982D+02
      5  -0.358116D+00 -0.177012D+01 -0.305744D+01 -0.409161D+01  0.175234D+01
      6   0.409837D+00 -0.188564D+01  0.956640D+00  0.216928D+01 -0.158069D+01
                 6             7             8             9            10 
      1   0.705177D+01  0.415960D+01 -0.189547D+01 -0.105597D+02  0.713249D+02
      2  -0.239453D+01 -0.256110D+01  0.210204D+01 -0.427115D+00 -0.192564D+02
      3  -0.465725D+01 -0.159851D+01 -0.206566D+00  0.109868D+02 -0.520685D+02
      4  -0.145370D+01  0.244260D+00 -0.201103D+01 -0.204662D+01  0.371868D+02
      5   0.367045D+01  0.687478D+00 -0.801205D+00  0.181981D+01  0.120944D+01
      6  -0.637652D+00  0.284926D+01  0.439155D+01 -0.100326D+01 -0.300373D+01
                11            12            13            14            15 
      1   0.243934D+02 -0.648770D+01  0.972188D+02 -0.243146D+02 -0.756484D+01
      2  -0.198640D+02  0.849079D+00 -0.375042D+02  0.155362D+02  0.324561D+01
      3  -0.452940D+01  0.563862D+01 -0.597145D+02  0.877839D+01  0.431923D+01
      4   0.177911D+02 -0.162653D+01 -0.285925D+02  0.190499D+02  0.219522D+01
      5  -0.175554D+01 -0.111140D+02  0.272256D+01 -0.105341D+00 -0.118077D+01
      6  -0.103515D-01  0.445611D+00 -0.730568D+00  0.203300D+01 -0.160799D+01
                16            17            18            19            20 
      1  -0.428769D+01 -0.241187D+01 -0.495178D+01  0.467002D+02 -0.340008D+02
      2  -0.208700D+00  0.163571D+01 -0.377675D+01 -0.180686D+02  0.216198D+02
      3   0.449639D+01  0.776165D+00  0.872852D+01 -0.286316D+02  0.123810D+02
      4  -0.352076D+01 -0.947010D+00  0.363419D+01 -0.957707D+01 -0.259369D+02
      5   0.288970D+01  0.174502D+01  0.236852D+01  0.347346D+01  0.165606D+01
      6   0.174984D+01  0.292600D+01  0.118285D+00 -0.876651D+00  0.535646D+01
                21            22            23            24            25 
      1  -0.667410D+01  0.114569D+02  0.193593D+02  0.257751D+01 -0.429805D+01
      2   0.310100D+01 -0.223256D+02 -0.243090D+02  0.181895D+00  0.859450D+00
      3   0.357310D+01  0.108686D+02  0.494976D+01 -0.275941D+01  0.343860D+01
      4   0.417155D+00  0.101748D+02 -0.101480D+01 -0.361971D+00  0.256143D+01
      5  -0.236876D+01 -0.212949D+01  0.133325D+00  0.685078D+01  0.924907D+01
      6  -0.669458D+00  0.555598D+00 -0.207740D+01  0.570464D+01  0.255330D+01
                26            27            28            29            30 
      1   0.774435D+01 -0.122742D+02  0.924922D+01 -0.480794D+01  0.277137D+01
      2  -0.302446D+01  0.251270D+00 -0.273291D+02  0.397010D+01 -0.134545D+00
      3  -0.471989D+01  0.120229D+02  0.180799D+02  0.837837D+00 -0.263682D+01
      4   0.208531D+01  0.623790D+01 -0.291601D+00  0.134813D+02  0.558986D+00
      5   0.842767D+01  0.270789D+01 -0.861117D+01  0.228945D+01  0.945540D+01
      6   0.130885D+02 -0.224630D+01  0.147358D+01 -0.232052D+01  0.212279D+01
                31            32            33            34            35 
      1   0.407009D+02 -0.498723D+02 -0.253001D+01  0.598352D+01 -0.237366D+01
      2  -0.297583D+02  0.432656D+02  0.242221D+01 -0.521177D+00  0.118326D+01
      3  -0.109427D+02  0.660672D+01  0.107800D+00 -0.546234D+01  0.119040D+01
      4  -0.322991D+02 -0.181997D+02  0.745312D+00 -0.245641D+01 -0.757231D+00
      5  -0.209630D+01  0.202682D+01 -0.180575D+01  0.298939D+02 -0.399418D+01
      6   0.111403D+01  0.542229D+01 -0.421043D+01  0.386410D+01  0.294545D+01
                36            37            38            39            40 
      1   0.395668D+00 -0.195457D+02  0.517978D+02  0.397225D+01 -0.386328D+02
      2  -0.113229D+02  0.102789D+02 -0.357988D+02 -0.142168D+01  0.388697D+02
      3   0.109272D+02  0.926687D+01 -0.159990D+02 -0.255057D+01 -0.236875D+00
      4  -0.573533D+00  0.279875D+02  0.580486D+01 -0.275150D+01  0.181683D+02
      5  -0.169200D+01  0.990435D+00 -0.481923D+01  0.317679D+01  0.322978D+01
      6  -0.712923D+00 -0.383009D+01 -0.401837D+01 -0.684082D+01 -0.108809D+01
                41            42            43            44            45 
      1   0.285883D+02  0.158933D+01  0.315016D+01 -0.604690D+01 -0.115284D+02
      2  -0.270244D+02 -0.293227D+01  0.242962D+01  0.174725D+01 -0.167624D+01
      3  -0.156393D+01  0.134294D+01 -0.557978D+01  0.429964D+01  0.132046D+02
      4   0.253235D+02  0.140345D+00 -0.395796D+01  0.100833D+01 -0.609056D+01
      5  -0.128217D+01 -0.703384D+01  0.137493D+02 -0.623754D+01 -0.205528D+01
      6  -0.407270D+01  0.234194D+01 -0.168468D+02  0.840019D+01  0.439657D+01
                46            47            48            49            50 
      1   0.290522D+02 -0.443189D+02 -0.575441D+01  0.783197D+01  0.125836D+02
      2  -0.217297D+02  0.298490D+02  0.234270D+01 -0.670460D+01 -0.207061D+02
      3  -0.732252D+01  0.144698D+02  0.341171D+01 -0.112737D+01  0.812251D+01
      4  -0.330773D+02 -0.160471D+02  0.228402D+01  0.187500D+02 -0.715816D+01
      5   0.232600D+01  0.276949D+01  0.106770D+01  0.450053D+00 -0.101840D+01
      6   0.250024D+01  0.585479D+01  0.561931D+01 -0.139860D+01 -0.601151D+00
                51            52            53            54            55 
      1  -0.444793D+00 -0.435363D+01  0.356142D+01 -0.184309D+02 -0.188815D+02
      2  -0.818627D+00  0.234552D+01 -0.504838D+01  0.733637D+01  0.130798D+01
      3   0.126342D+01  0.200811D+01  0.148695D+01  0.110945D+02  0.175735D+02
      4  -0.124209D+01  0.370825D+01  0.323709D+01  0.199789D+01  0.129232D+02
      5   0.146955D+00  0.402710D+01  0.571902D+00  0.240602D+01 -0.315984D+01
      6   0.641662D+01  0.476371D+01  0.183819D+02  0.844734D+00  0.121798D+01
                56            57            58            59            60 
      1  -0.367817D+02 -0.192921D+01  0.718402D+00  0.201932D+02  0.591761D+00
      2   0.326822D+02  0.153136D+01 -0.309091D+01 -0.252462D+02 -0.420708D+00
      3   0.409943D+01  0.397851D+00  0.237251D+01  0.505299D+01 -0.171053D+00
      4  -0.566407D+02 -0.211178D+01  0.143762D+02 -0.429729D+01 -0.129342D+00
      5   0.177579D+01 -0.658948D+01  0.699516D+00 -0.535915D+00 -0.586326D+01
      6   0.298166D+01  0.798641D+01 -0.559313D+00 -0.609267D+00  0.771545D+01
                61            62            63            64            65 
      1  -0.262104D+00  0.316364D+01 -0.250250D+02 -0.160547D+01 -0.371166D+01
      2   0.956086D+00 -0.361981D+01  0.122804D+02  0.559910D+01  0.615967D+01
      3  -0.693982D+00  0.456164D+00  0.127446D+02 -0.399362D+01 -0.244801D+01
      4  -0.142638D+01  0.728629D+01 -0.934425D+01  0.823053D+01  0.114791D+02
      5  -0.115756D+01 -0.137597D+02  0.286647D+01 -0.727318D+00 -0.692770D+00
      6   0.453783D+01  0.225292D+02 -0.146209D+01 -0.128415D+01 -0.135286D+01
                66            67            68            69            70 
      1   0.944098D-01 -0.785689D+01 -0.300732D+02  0.111251D+01 -0.646637D+00
      2  -0.269388D-01  0.119919D+02  0.396351D+02 -0.732283D+00  0.420364D+00
      3  -0.674710D-01 -0.413502D+01 -0.956192D+01 -0.380230D+00  0.226273D+00
      4  -0.415433D+00  0.126077D+02  0.216209D+02 -0.400025D+00 -0.332837D+00
      5   0.138155D+01 -0.527322D+00  0.352966D+00  0.229576D+01  0.681538D-01
      6   0.139469D+01 -0.157856D+01 -0.466530D+01  0.626246D+01  0.177530D+01
                71            72            73            74            75 
      1  -0.184006D+00 -0.311825D+01  0.777237D+01  0.158164D+01 -0.136635D+00
      2   0.213393D+00  0.384366D+01  0.682981D+00 -0.766661D+01  0.368125D+00
      3  -0.293870D-01 -0.725414D+00 -0.845535D+01  0.608496D+01 -0.231490D+00
      4  -0.428765D+00  0.111076D+01 -0.220009D+02  0.176898D+02  0.146924D+01
      5   0.155078D+00 -0.333837D+00 -0.515052D+01  0.190726D+01  0.466740D+01
      6   0.305101D+01 -0.370218D+00  0.275285D+01 -0.233723D+01 -0.278078D+01
                76            77            78            79            80 
      1   0.492819D+01 -0.125251D+02 -0.156146D+01 -0.938721D+00 -0.520594D+00
      2  -0.130894D+02  0.217613D+02  0.117754D+01  0.188131D+00  0.591508D+00
      3   0.816125D+01 -0.923615D+01  0.383918D+00  0.750590D+00 -0.709141D-01
      4   0.230449D+02 -0.251029D+02 -0.205240D+01  0.156442D+01 -0.122561D+01
      5   0.266944D+01 -0.240582D+01 -0.350307D+01  0.131441D+01 -0.178205D+01
      6  -0.369594D+01  0.464690D+01  0.498079D+01  0.295370D+00  0.255542D+01
                81            82            83            84            85 
      1   0.294625D+00 -0.382994D+01 -0.762527D+01  0.236017D+00 -0.593412D+01
      2   0.911716D+00  0.659324D+01  0.110081D+02 -0.203091D+00  0.766748D+01
      3  -0.120634D+01 -0.276330D+01 -0.338278D+01 -0.329264D-01 -0.173336D+01
      4  -0.280392D+01  0.486068D+01  0.120338D+02  0.231743D+00  0.765005D+01
      5  -0.701510D+00  0.876684D+00  0.124209D+01  0.188792D+01  0.784664D+00
      6   0.576913D+00  0.649527D+00  0.465482D+00  0.174515D+01  0.846683D+00
                86            87            88            89            90 
      1  -0.459704D+02 -0.938648D+00  0.626736D+00 -0.114948D+00 -0.237754D+01
      2   0.606063D+02  0.466379D+00 -0.431241D+00 -0.432859D-01  0.296892D+01
      3  -0.146359D+02  0.472269D+00 -0.195495D+00  0.158234D+00 -0.591385D+00
      4   0.144295D+02  0.381251D+00 -0.172369D+00 -0.578832D+00  0.215942D+01
      5   0.290655D+01  0.123988D+01  0.993438D+00  0.163404D+01  0.574758D-02
      6   0.461245D+01  0.737925D+01 -0.180991D+00  0.411256D+01  0.212295D+00
                91            92            93            94            95 
      1  -0.654557D+01  0.781365D+01 -0.925014D+01  0.111335D+02  0.914383D+01
      2   0.151193D+02 -0.791798D+01 -0.529508D+00 -0.134433D+02 -0.172160D+02
      3  -0.857373D+01  0.104330D+00  0.977965D+01  0.230984D+01  0.807215D+01
      4   0.913329D+01 -0.237649D+01 -0.241309D+00 -0.537839D+01 -0.415375D+02
      5  -0.113223D+01 -0.178579D+01 -0.242621D+02 -0.111246D+02  0.151713D+00
      6  -0.237569D+01  0.188196D+01  0.438510D+00  0.232214D+00  0.595651D+01
                96            97            98            99           100 
      1  -0.473403D+01 -0.422153D+01 -0.256067D+00 -0.254433D+02 -0.670826D+02
      2   0.745898D+01 -0.560798D+01  0.496127D+00  0.207040D+02  0.359726D+02
      3  -0.272495D+01  0.982952D+01 -0.240060D+00  0.473935D+01  0.311100D+02
      4  -0.720999D-01 -0.268722D+01 -0.206896D+01  0.844527D+01 -0.232877D+02
      5   0.854923D+01 -0.577798D+02  0.975145D+01  0.517124D+01  0.322604D+02
      6   0.116060D+01  0.120962D+01  0.101915D+01 -0.326352D+01  0.105990D+02
               101           102           103           104           105 
      1  -0.179663D+02  0.284742D+02 -0.290531D+02  0.110592D+02 -0.599508D+01
      2   0.726116D+01 -0.154821D+01  0.203018D+02 -0.738773D+01 -0.100964D+02
      3   0.107051D+02 -0.269260D+02  0.875128D+01 -0.367150D+01  0.160915D+02
      4   0.464538D+01 -0.319676D+00  0.227842D+01  0.370297D+02  0.100400D+02
      5   0.415878D+01  0.182599D+02  0.152592D+02  0.657739D+01 -0.180369D+02
      6  -0.295248D+01  0.213283D+01 -0.137594D+01 -0.179856D+02 -0.651145D+01
               106           107           108           109           110 
      1   0.371108D+01 -0.746245D+01  0.342501D+02 -0.879339D+02  0.174638D+02
      2   0.152123D+02 -0.521314D+01 -0.145492D+02  0.366502D+02 -0.180360D+01
      3  -0.189234D+02  0.126756D+02 -0.197009D+02  0.512837D+02 -0.156602D+02
      4   0.208104D+01  0.726255D+01 -0.160437D+02  0.288714D+02 -0.205221D+02
      5   0.399135D+02 -0.145866D+02 -0.159952D+02 -0.931789D+01  0.540049D+01
      6  -0.135638D+01 -0.407424D+01  0.137053D+02  0.555163D+01 -0.156081D+01
               111           112           113           114           115 
      1  -0.195035D+01  0.281077D+02 -0.127256D+02  0.158411D+01  0.209469D+02
      2   0.626525D+00 -0.683626D+01  0.884333D+01 -0.107251D+01 -0.138169D+02
      3   0.132382D+01 -0.212714D+02  0.388231D+01 -0.511602D+00 -0.713005D+01
      4   0.253246D+01 -0.432513D+01  0.205607D+02  0.206134D+01  0.422441D-01
      5  -0.472121D+01  0.978126D+01  0.721444D-01  0.218526D+01  0.230226D+02
      6   0.328743D+01 -0.190853D+01  0.290816D+01  0.782246D+00 -0.333595D+01
               116           117           118           119           120 
      1   0.116868D+01  0.226870D+02 -0.406892D+01  0.706392D+01  0.176197D+01
      2   0.322563D+00 -0.479852D+01  0.760236D+01 -0.173333D+01 -0.724238D+00
      3  -0.149124D+01 -0.178885D+02 -0.353345D+01 -0.533059D+01 -0.103774D+01
      4   0.359683D+01 -0.485449D+01  0.126733D+02  0.107793D+02 -0.954057D+00
      5  -0.521401D+01  0.834117D+01  0.973953D+00 -0.138029D+01  0.744299D+01
      6  -0.354437D+01 -0.212926D+01 -0.140362D+01 -0.944992D+00  0.164867D+00
               121           122           123           124           125 
      1   0.100774D+02 -0.127802D+02  0.263482D+01  0.285028D+01 -0.106038D+00
      2  -0.165634D+00  0.271452D+02 -0.139276D+01 -0.141363D+01  0.179283D+01
      3  -0.991179D+01 -0.143650D+02 -0.124206D+01 -0.143665D+01 -0.168680D+01
      4   0.183288D+02  0.497069D+02 -0.178351D+01 -0.433412D-01  0.398917D+00
      5  -0.372338D+00 -0.164783D+01  0.993210D+01  0.983532D+01  0.582765D+01
      6  -0.162174D+01 -0.653938D+01  0.458075D+01  0.156757D+01  0.547091D+01
               126           127           128           129           130 
      1   0.123553D+01  0.108723D+03  0.114297D+02 -0.188176D+02  0.200016D+02
      2  -0.161696D+00 -0.638131D+02 -0.538332D+01  0.162296D+02 -0.109023D+02
      3  -0.107384D+01 -0.449101D+02 -0.604639D+01  0.258793D+01 -0.909931D+01
      4   0.629214D+01  0.171540D+02  0.138749D+02 -0.284799D+01  0.190202D+02
      5  -0.151762D+01 -0.578851D+02 -0.494242D+01  0.260324D+02 -0.123992D+02
      6  -0.844652D+00 -0.712256D+01 -0.528298D+01  0.141434D+01 -0.684092D+01
               131           132           133           134           135 
      1   0.104801D+02 -0.209647D+01 -0.741425D+01  0.417530D+00  0.800253D+01
      2  -0.447833D+01  0.401476D+01  0.800249D+01  0.158399D+01 -0.745758D+01
      3  -0.600174D+01 -0.191830D+01 -0.588247D+00 -0.200152D+01 -0.544949D+00
      4   0.376405D+01 -0.515146D+01 -0.141015D+01 -0.188556D+01  0.447423D+01
      5  -0.719873D+01  0.836381D+01  0.169038D+02  0.416451D+01 -0.843072D+01
      6  -0.806350D+00  0.340175D+01  0.161246D+01  0.154107D+01 -0.224354D+01
               136           137           138           139           140 
      1  -0.611324D+01  0.741336D+01 -0.215822D+02  0.802273D+01 -0.106764D+02
      2  -0.952083D+00 -0.197921D+01 -0.992590D+00 -0.490625D+01  0.198990D+01
      3   0.706532D+01 -0.543415D+01  0.225748D+02 -0.311649D+01  0.868651D+01
      4   0.413807D+01 -0.376262D+01  0.253369D+01  0.868043D+00  0.484039D+01
      5  -0.180067D+01 -0.272865D+00 -0.996455D+01 -0.576999D+01 -0.809078D+01
      6  -0.363885D+01  0.443890D+01 -0.398444D+01  0.480731D+00 -0.642284D+01
               141           142           143           144           145 
      1   0.121773D+02 -0.946645D+01  0.853113D+01 -0.380696D+02  0.642251D+01
      2   0.350630D+01  0.280955D+01  0.225449D+01 -0.124490D+02 -0.148099D+01
      3  -0.156836D+02  0.665690D+01 -0.107856D+02  0.505186D+02 -0.494151D+01
      4  -0.110856D+02 -0.645944D+00 -0.866360D+01  0.120982D+02 -0.580780D+01
      5   0.160308D+02  0.415905D+01  0.908703D+01 -0.371712D+02 -0.388271D+01
      6   0.120392D+02 -0.196592D+00  0.915216D+01 -0.124369D+02  0.292366D+01
               146           147           148           149           150 
      1  -0.595777D+01 -0.517740D+01 -0.110278D+02 -0.103231D+02 -0.290268D+01
      2   0.325701D+01  0.389154D+00  0.702778D+01  0.137085D+02 -0.234121D+01
      3   0.270075D+01  0.478825D+01  0.400006D+01 -0.338539D+01  0.524390D+01
      4   0.323141D+01  0.105401D+01  0.106202D+02 -0.472928D+02 -0.127947D+02
      5   0.282908D+01 -0.136540D+01  0.117147D+02 -0.117855D+02 -0.148972D+02
      6  -0.668373D-01 -0.906798D-01 -0.403488D+01  0.262656D+02  0.110014D+02
               151           152           153           154           155 
      1  -0.221719D+00 -0.231722D+01 -0.726961D+01  0.186773D+03 -0.295352D+02
      2  -0.110985D+01 -0.707393D+00  0.167678D+01 -0.868381D+02  0.899925D+01
      3   0.133157D+01  0.302462D+01  0.559283D+01 -0.999345D+02  0.205360D+02
      4   0.210370D+01 -0.558716D+01 -0.623419D+01 -0.405756D+02  0.384831D+02
      5  -0.518162D+00 -0.617937D+01 -0.310772D+01  0.300167D+02 -0.550814D+01
      6  -0.154660D+01  0.756080D+01  0.416873D+01 -0.489204D+01  0.469559D+01
               156           157           158           159           160 
      1   0.398302D+01 -0.401623D+02  0.340902D+02 -0.223042D+00  0.689504D+01
      2  -0.703750D+01  0.132180D+02 -0.859463D+01  0.157922D+01 -0.776076D+01
      3   0.305448D+01  0.269442D+02 -0.254956D+02 -0.135618D+01  0.865723D+00
      4  -0.193940D+01  0.523780D+02 -0.370907D+02  0.215509D+01 -0.304285D+01
      5   0.357601D+02 -0.856688D+01  0.690773D+01 -0.120668D+02  0.354822D+02
      6  -0.196074D+01  0.886585D+01 -0.636588D+01  0.561025D+01 -0.402944D+01
               161           162           163           164           165 
      1  -0.707241D+00  0.206079D+02  0.420591D+02 -0.808761D+01  0.142320D+02
      2   0.109861D+01 -0.138895D+02 -0.302245D+02  0.326381D+01 -0.916319D+01
      3  -0.391370D+00 -0.671839D+01 -0.118346D+02  0.482381D+01 -0.506882D+01
      4   0.764434D+00 -0.828343D+01 -0.781532D+01  0.804261D+01  0.133090D+01
      5  -0.912583D+01  0.517569D+01  0.296017D+02 -0.806732D+00  0.183434D+02
      6   0.527075D+01 -0.199271D+01 -0.347197D+01  0.149624D+01  0.534844D+00
               166           167           168           169           170 
      1  -0.153821D+02 -0.666579D+01  0.182219D+00 -0.882637D+00 -0.483265D-01
      2   0.832519D+01  0.171074D+01  0.619055D+00 -0.310564D+01 -0.464572D+00
      3   0.705694D+01  0.495505D+01 -0.801273D+00  0.398827D+01  0.512899D+00
      4   0.591497D+01  0.165592D+01  0.106835D+02  0.318367D+01  0.452447D+01
      5  -0.673091D+01  0.107901D+02 -0.283930D+01  0.159566D+02  0.295653D+01
      6   0.129478D+01  0.846895D+00  0.117575D+02  0.243908D+01  0.108123D+02
               171           172           173           174           175 
      1  -0.307530D+02 -0.441660D+02  0.716093D+01  0.548883D+01  0.136900D+02
      2  -0.138776D+02  0.276524D+02 -0.364143D+01  0.493182D+01 -0.877932D+01
      3   0.446306D+02  0.165136D+02 -0.351951D+01 -0.104206D+02 -0.491063D+01
      4   0.521780D+01  0.623905D+01 -0.474070D+01 -0.915198D+00 -0.997482D+00
      5   0.436232D+02 -0.232920D+02  0.144478D+01 -0.136001D+02  0.609683D+01
      6   0.365084D+01  0.315520D+01 -0.366916D+01 -0.153662D+01 -0.102295D+01
               176           177           178           179           180 
      1  -0.622096D+01 -0.183256D+01 -0.850111D+01  0.327935D+00 -0.874105D+01
      2   0.387236D+01 -0.902315D+00  0.107673D+02 -0.610041D+00  0.461637D+01
      3   0.234859D+01  0.273487D+01 -0.226618D+01  0.282106D+00  0.412468D+01
      4   0.222866D+01  0.302925D+01  0.199555D+01  0.333906D-01  0.112822D+01
      5   0.172002D+01  0.465378D+01 -0.108332D+02  0.103098D+01 -0.306519D+01
      6   0.228909D+01  0.330466D+01 -0.662281D+00  0.111224D+01  0.865520D+00
               181           182           183           184           185 
      1   0.261780D+02  0.528391D+02  0.709309D+00 -0.418688D+02  0.211830D+02
      2  -0.129716D+02 -0.424299D+02 -0.516682D+00  0.336335D+02 -0.257757D+02
      3  -0.132064D+02 -0.104092D+02 -0.192627D+00  0.823530D+01  0.459270D+01
      4   0.956398D+01  0.372124D+02 -0.296518D+01  0.667686D+00  0.420952D+02
      5   0.543795D+01 -0.570991D+01  0.119840D+02  0.102116D+01  0.797854D+00
      6  -0.379329D+01  0.170373D+01 -0.873113D+01  0.116937D+01 -0.170185D+01
               186           187           188           189           190 
      1   0.244224D+01  0.147254D+01 -0.623019D+01  0.433103D+01  0.141705D+03
      2  -0.252299D+01  0.901279D+00  0.338041D+01 -0.773089D+01 -0.712983D+02
      3   0.807561D-01 -0.237382D+01  0.284978D+01  0.339986D+01 -0.704064D+02
      4   0.160085D+01 -0.515111D+01 -0.417422D+00 -0.216512D+02  0.122312D+02
      5  -0.736470D+01  0.326591D+02 -0.172442D+02 -0.305144D+01  0.123509D+01
      6   0.301820D+01 -0.225935D+02  0.125771D+02  0.330831D+01 -0.185787D+01
               191           192           193           194           195 
      1  -0.167666D+01 -0.862178D+01 -0.314363D+02 -0.431347D+02  0.675313D+00
      2  -0.964274D+01  0.261432D+01  0.244439D+01  0.465669D+02  0.146785D+01
      3   0.113194D+02  0.600746D+01  0.289919D+02 -0.343217D+01 -0.214316D+01
      4   0.212654D+02 -0.650468D+00 -0.398114D+02 -0.660515D+02  0.132151D+01
      5   0.522819D+00  0.493846D+01 -0.205225D+01  0.129436D+01 -0.144413D+01
      6   0.967282D+00 -0.245911D+01  0.267772D+01  0.850078D+00 -0.636917D+01
               196           197           198           199           200 
      1  -0.476977D+01 -0.207397D+01  0.229593D+02 -0.110136D+03 -0.248906D+02
      2   0.235828D+01  0.236670D+01 -0.206409D+02  0.382894D+02  0.260792D+02
      3   0.241149D+01 -0.292733D+00 -0.231838D+01  0.718463D+02 -0.118859D+01
      4  -0.342630D+01 -0.277122D+01 -0.107234D+01 -0.347944D+02 -0.369624D+02
      5   0.472653D+02 -0.552525D+01 -0.381919D+01  0.123552D+01  0.345149D+01
      6  -0.144825D+01  0.321118D+01 -0.287327D+00  0.395951D+01  0.104075D+01
               201           202           203           204           205 
      1   0.673771D+01  0.792144D+02  0.144043D+02 -0.416552D+01  0.961753D+01
      2  -0.238061D+01 -0.468884D+02 -0.227653D+02  0.218142D+01 -0.416286D+01
      3  -0.435710D+01 -0.323260D+02  0.836105D+01  0.198410D+01 -0.545466D+01
      4   0.308170D+01  0.239627D+02  0.191446D+02 -0.160801D+01  0.513656D+01
      5   0.560452D+01 -0.163044D+01 -0.741083D+00  0.113148D+02  0.103867D+01
      6  -0.172678D+00 -0.188040D+01 -0.613720D+00  0.649411D+01  0.164427D+01
               206           207           208           209           210 
      1   0.514038D+01 -0.172495D+02  0.172797D+02 -0.612086D+01  0.174049D+01
      2  -0.413667D+01 -0.121484D+01 -0.133126D+02  0.540659D+01  0.923037D+00
      3  -0.100371D+01  0.184643D+02 -0.396709D+01  0.714266D+00 -0.266353D+01
      4   0.346962D+01  0.162024D+02 -0.174586D+02  0.113250D+02  0.763824D+00
      5   0.205548D+02  0.325755D+01 -0.231770D+01 -0.142418D+00  0.196382D+02
      6   0.107296D+02 -0.193538D+00  0.998151D+00 -0.136395D+01  0.300845D+01
               211           212           213           214           215 
      1  -0.213475D+02  0.440509D+01  0.366302D+01  0.693557D+00 -0.159714D+00
      2   0.121357D+02 -0.258057D+01 -0.174215D+01  0.106730D+01 -0.508336D+00
      3   0.921179D+01 -0.182453D+01 -0.192087D+01 -0.176086D+01  0.668051D+00
      4   0.242138D+02 -0.186142D+02 -0.143639D+01  0.111946D+01 -0.756768D+00
      5   0.283202D+01 -0.474672D+00  0.132681D+02  0.144419D+02 -0.496696D+01
      6  -0.338470D+00  0.338219D+00  0.115555D+02 -0.123390D+01  0.405834D+01
               216           217           218           219           220 
      1   0.514165D+01 -0.979412D+02 -0.345661D+01  0.129432D+02  0.177051D+02
      2  -0.410601D+01  0.545461D+02  0.487604D+01 -0.699013D+01 -0.642896D+01
      3  -0.103565D+01  0.433951D+02 -0.141943D+01 -0.595308D+01 -0.112762D+02
      4  -0.594658D+01 -0.144332D+01  0.204044D+02 -0.249664D+01  0.988557D+00
      5  -0.323008D+01  0.114450D+02 -0.312367D+01  0.174733D+02 -0.616581D+01
      6   0.454612D+00  0.787174D+00 -0.230211D+01  0.716692D+01 -0.197890D+01
               221           222           223           224           225 
      1   0.183761D+02 -0.997346D+01  0.108299D+02 -0.588269D+01  0.257106D+02
      2  -0.951134D+01  0.335672D+01 -0.614106D+01  0.194863D+01 -0.188667D+02
      3  -0.886479D+01  0.661674D+01 -0.468880D+01  0.393406D+01 -0.684388D+01
      4   0.972358D+00 -0.135923D+00 -0.374695D+01 -0.161867D+01 -0.358433D+02
      5  -0.118118D+00 -0.593784D+02 -0.332257D+01 -0.392556D+02 -0.730989D+01
      6   0.115819D+01 -0.245195D+02 -0.560005D+01 -0.178908D+02  0.102705D-01
               226           227           228           229           230 
      1  -0.717843D+01 -0.153576D+02  0.391855D+00 -0.544865D+01 -0.563588D+02
      2   0.842077D+01  0.166664D+02 -0.176751D+00  0.546425D+01  0.742678D+02
      3  -0.124234D+01 -0.130873D+01 -0.215104D+00 -0.155979D-01 -0.179090D+02
      4   0.591831D+00  0.486617D+01  0.213845D+00  0.348688D+01 -0.226203D+02
      5   0.372888D+00  0.623765D+00  0.856288D+00  0.558314D-01  0.207806D+01
      6  -0.306398D+00 -0.708175D+00  0.205511D+01  0.195611D+00 -0.964415D+00
               231           232           233           234           235 
      1  -0.650419D+00  0.633806D+00  0.134174D+00 -0.184424D+01  0.368805D+02
      2   0.723845D+00 -0.383639D+00  0.169716D+00  0.299586D+01 -0.747338D+01
      3  -0.734259D-01 -0.250167D+00 -0.303890D+00 -0.115162D+01 -0.294072D+02
      4   0.175942D-01 -0.533938D-01 -0.574312D+00  0.453182D+00 -0.516740D+02
      5  -0.243049D+01  0.209873D+01 -0.137596D+00 -0.225247D+00 -0.320917D+01
      6   0.814030D+01 -0.803024D+00  0.444764D+01  0.962749D-01  0.248082D+01
               236           237           238           239           240 
      1  -0.184330D+02 -0.239501D+01 -0.166836D+02  0.911042D+01  0.683326D+00
      2  -0.184833D+01  0.673058D+00 -0.788144D+01  0.160276D+02  0.881084D+00
      3   0.202814D+02  0.172195D+01  0.245650D+02 -0.251380D+02 -0.156441D+01
      4   0.415332D+02  0.404383D+01  0.497432D+02 -0.543221D+02 -0.426957D+01
      5   0.193340D+01  0.716512D+01  0.200075D+01 -0.186422D+01 -0.681538D+01
      6  -0.185986D+01 -0.419901D+01 -0.218975D+01  0.267492D+01  0.573359D+01
               241           242           243           244           245 
      1  -0.323441D+01  0.124533D+01  0.376364D+00  0.626708D+01  0.993143D+01
      2   0.647225D+00  0.394897D+00  0.117745D+01 -0.682105D+00 -0.285213D+01
      3   0.258718D+01 -0.164022D+01 -0.155381D+01 -0.558498D+01 -0.707930D+01
      4   0.499138D+01 -0.410149D+01 -0.502639D+01  0.154790D+02  0.132976D+02
      5   0.129249D+01 -0.387100D+01 -0.122813D+01  0.287432D-01 -0.322649D+00
      6  -0.352963D+00  0.342616D+01  0.796875D+00 -0.332948D-01 -0.370725D+00
               246           247           248           249           250 
      1  -0.165336D+00  0.105349D+02 -0.641336D+01 -0.469056D+00 -0.206203D+00
      2   0.988237D-01  0.118300D+01  0.193890D+02 -0.686117D-01  0.114664D+00
      3   0.665119D-01 -0.117179D+02 -0.129756D+02  0.537667D+00  0.915388D-01
      4  -0.799330D+00  0.247249D+02  0.409934D+02 -0.565527D+00 -0.482546D+00
      5   0.131991D+01  0.298328D+00  0.145284D+01  0.431880D+01  0.772700D+00
      6   0.464099D+00 -0.250631D-01  0.139595D+00  0.463146D+01  0.206513D+01
               251           252           253           254           255 
      1  -0.104430D+01 -0.131579D+01  0.493067D+01  0.506460D+01  0.993962D+01
      2   0.586955D+00  0.235825D+01 -0.236780D+01 -0.394420D+01 -0.470916D+01
      3   0.457342D+00 -0.104246D+01 -0.256288D+01 -0.112040D+01 -0.523047D+01
      4  -0.431468D-01  0.605294D+00  0.858074D+00 -0.287997D+01  0.251407D+01
      5  -0.320418D+00  0.497977D-01  0.803073D+01  0.879492D+00 -0.649677D+01
      6   0.179617D+01  0.432089D-01  0.294413D+01 -0.293202D+00 -0.383993D+01
               256           257           258           259           260 
      1   0.463444D+01 -0.220805D+01 -0.111504D+01  0.242272D+02  0.431694D+01
      2   0.864556D+00  0.902201D+01  0.544054D+01 -0.109184D+02  0.226885D+01
      3  -0.549900D+01 -0.681396D+01 -0.432550D+01 -0.133088D+02 -0.658578D+01
      4   0.182422D+02  0.284454D+02  0.194151D+02  0.231784D+02  0.256803D+02
      5   0.110511D+02  0.204391D+02  0.250902D+02  0.202211D+02  0.268890D+02
      6   0.471789D+01  0.988354D+01  0.123747D+02  0.809762D+01  0.131180D+02
               261           262           263           264           265 
      1  -0.717773D+01  0.200200D+03  0.129527D+02 -0.126221D+02 -0.105232D+02
      2   0.191708D+01 -0.103579D+03 -0.387194D+01  0.739216D+01  0.888175D+01
      3   0.526066D+01 -0.966207D+02 -0.908079D+01  0.522996D+01  0.164144D+01
      4   0.247366D+02  0.361743D+02  0.184322D+02 -0.215743D+01  0.179897D+02
      5   0.509340D+02 -0.149112D+02 -0.824306D+00  0.174553D+02  0.876579D+00
      6   0.184569D+02 -0.216520D+01 -0.772273D+00  0.280336D+01 -0.706621D+00
               266           267           268           269           270 
      1   0.160456D+02  0.131946D+01 -0.125752D+02 -0.142222D+00  0.155846D+02
      2  -0.799640D+01 -0.100578D+01  0.767133D+01 -0.670101D-01 -0.879512D+01
      3  -0.804918D+01 -0.313678D+00  0.490388D+01  0.209232D+00 -0.678948D+01
      4  -0.587585D+00 -0.156570D+01 -0.219738D+01 -0.165899D+01  0.605562D+01
      5  -0.180726D+01  0.107682D+01  0.230950D+02  0.494059D+01 -0.421712D+01
      6  -0.163692D+00  0.193604D+01  0.346042D+01  0.279330D+01 -0.734540D+00
               271           272           273           274           275 
      1  -0.418252D+01  0.492359D+01 -0.138515D+02  0.295580D+01 -0.841845D+01
      2   0.151459D+01 -0.467378D+01  0.605105D+01  0.405736D+00  0.117415D+02
      3   0.266793D+01 -0.249803D+00  0.780048D+01 -0.336154D+01 -0.332304D+01
      4  -0.391671D+01 -0.733219D+01  0.148170D+01  0.148632D+02  0.291100D+02
      5  -0.666443D+01  0.302823D+01 -0.113760D+02 -0.788658D+01 -0.203774D+02
      6  -0.234788D+01  0.318969D+01 -0.647599D+01 -0.424979D+01 -0.127995D+02
               276           277           278           279 
      1   0.754202D+01 -0.209143D+02  0.285596D+01 -0.147772D+02
      2  -0.753944D+01  0.999556D+01 -0.406526D+01  0.337274D+01
      3  -0.258297D-02  0.109187D+02  0.120930D+01  0.114045D+02
      4  -0.205837D+02 -0.171565D+02 -0.232517D+02  0.249653D+02
      5   0.256725D+02  0.156220D+02  0.265486D+02 -0.444809D+02
      6   0.145275D+02  0.698503D+01  0.149877D+02 -0.197293D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x         -0.205154D+01     -0.521450D+01     -0.173937D+02
   y          0.144099D+00      0.366262D+00      0.122172D+01
   z         -0.612924D+00     -0.155790D+01     -0.519659D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.276001D+03      0.408992D+02      0.455064D+02
   yx        -0.698195D+01     -0.103462D+01     -0.115117D+01
   yy         0.160135D+03      0.237295D+02      0.264027D+02
   zx        -0.123091D+02     -0.182402D+01     -0.202950D+01
   zy         0.186296D+01      0.276062D+00      0.307160D+00
   zz         0.111988D+03      0.165950D+02      0.184644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.193998D+03      0.287475D+02      0.319859D+02
   aniso      0.157353D+03      0.233173D+02      0.259439D+02
   xx         0.293041D+03      0.434243D+02      0.483160D+02
   yx        -0.871673D+01     -0.129169D+01     -0.143719D+01
   yy         0.169957D+03      0.251850D+02      0.280221D+02
   zx        -0.129053D+02     -0.191236D+01     -0.212779D+01
   zy         0.205562D+01      0.304611D+00      0.338926D+00
   zz         0.118995D+03      0.176332D+02      0.196196D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.03032674         -1.53614494          1.45802895
     6         -0.40686792          1.05294070          2.08052490
     6          0.95071921         -2.16942227         -0.94391014
     6          1.56147538         -0.34883026         -2.69474968
     6          1.17261553          2.22295217         -2.05924791
     6          0.22112581          2.89897364          0.24835520
     6         -0.65580265         -3.38986757          3.28590797
     1          1.23874679         -4.14909030         -1.39057990
     1          1.62299653          3.67164593         -3.43253394
     1         -0.06928446          4.87477777          0.69757010
     6          2.60160473         -1.04665650         -5.26557781
     6          5.24877169          0.00121637         -5.75082758
     6          0.78413516         -0.31236429         -7.40329264
     1          2.69186496         -3.11401840         -5.35506871
     1          5.92502113         -0.58313216         -7.60297792
     1          6.54856874         -0.68060275         -4.30563665
     1          5.24985530          2.06014458         -5.70638795
     8          1.43746567          0.48096423         -9.41985170
     8         -1.69427245         -0.70880413         -6.91155730
     1         -1.90436302         -1.18749399         -5.15579427
     6         -1.60012769         -2.72130192          5.59007984
     6         -1.97609214         -0.14231789          6.20340013
     6         -1.38977477          1.71170793          4.47952416
     8         -2.92573118          0.27526873          8.54876791
     6         -3.36036901          2.80971306          9.30335281
     1         -0.37339857         -5.36526026          2.83054391
     1         -2.08274661         -4.12406193          6.99611429
     1         -1.66152977          3.68837255          4.90971004
     1         -1.60454181          3.90001390          9.30839808
     1         -4.11262685          2.71296143         11.21217472
     1         -4.73479231          3.73273743          8.06617871

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.214599D+01      0.545456D+01      0.181945D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.132243D+03      0.195964D+02      0.218040D+02
   yx        -0.131450D+01     -0.194788D+00     -0.216731D+00
   yy         0.159679D+03      0.236619D+02      0.263274D+02
   zx        -0.553526D+02     -0.820242D+01     -0.912642D+01
   zy        -0.246433D+01     -0.365176D+00     -0.406313D+00
   zz         0.256202D+03      0.379653D+02      0.422421D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.193998D+03      0.287475D+02      0.319859D+02
   aniso      0.157353D+03      0.233173D+02      0.259439D+02
   xx         0.140357D+03      0.207987D+02      0.231417D+02
   yx        -0.929314D+00     -0.137710D+00     -0.153223D+00
   yy         0.169355D+03      0.250958D+02      0.279229D+02
   zx        -0.585781D+02     -0.868038D+01     -0.965823D+01
   zy        -0.381338D+01     -0.565085D+00     -0.628742D+00
   zz         0.272281D+03      0.403479D+02      0.448931D+02

 ----------------------------------------------------------------------
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 Not by the face shall a man be known, but by the mask.
                               -- Karen Blixen
 Job cpu time:       0 days 22 hours 30 minutes 10.8 seconds.
 Elapsed time:       0 days  2 hours 48 minutes 55.0 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 13:36:02 2021.
